2-Aminomethyl-1-ethylpyrrolidine

C₇H₁₆N₂CAS 26116-12-1128.22 g/mol

Open in Covalent MOL file

Primary amine Tertiary amine

Properties

Molecular formula: C₇H₁₆N₂
Molar mass: 128.22 g/mol
Exact mass: 128.1313 Da
Density: 0.897 g/mL (at 20 °C)
Boiling point: 77–78 °C (at 10 Torr)
logP: 0.43Crippen estimate
Polar surface area: 29.3 Å²
H-bond donors / acceptors: 1 / 2
Rotatable bonds: 2

Hazards

Danger

H226 Flammable liquid and vapor96.6% of notifiers
H302 Harmful if swallowed16.9% of notifiers
H312 Harmful in contact with skin16.9% of notifiers
H314 Causes severe skin burns and eye damage20.3% of notifiers
H315 Causes skin irritation79.7% of notifiers
H319 Causes serious eye irritation78% of notifiers
H335 May cause respiratory irritation94.9% of notifiers

Aggregated from 59 ECHA notifications, via PubChem; a share says how many notifiers assign that statement.

Precautionary statements

P210, P233, P240, P241, P242, P243, P260, P261, P264, P264+P265, P270, P271, P280, P301+P317, P301+P330+P331, P302+P352, P302+P361+P354, P303+P361+P353, P304+P340, P305+P351+P338, P305+P354+P338, P316, P317, P319, P321, P330, P332+P317, P337+P317, P362+P364, P363, P370+P378, P403+P233, P403+P235, P405, P501

Identifiers

CAS number

26116-12-1

SMILES

CCN1CCCC1CN

InChIKey

UNRBEYYLYRXYCG-UHFFFAOYSA-N

InChI

InChI=1S/C7H16N2/c1-2-9-5-3-4-7(9)6-8/h7H,2-6,8H2,1H3

Weigh it out

Type any one amount. The others follow from the molar mass and density.

Names and synonyms

15 names · show all

2-(Aminomethyl)-1-ethylpyrrolidine
2-Pyrrolidinemethanamine, 1-ethyl-
Pyrrolidine, 2-(aminomethyl)-1-ethyl-
1-Ethyl-2-pyrrolidinemethanamine
1-Ethyl-2-(aminomethyl)pyrrolidine
N-Ethyl-α-aminomethylpyrrolidine
N-Ethyl-2-(aminomethyl)pyrrolidine
2-(Aminomethyl)-N-ethylpyrrolidine
1-Ethyl-2-pyrrolidinemethylamine
(1-Ethyl-2-pyrrolidinyl)methylamine
(±)-2-(Aminomethyl)-1-ethylpyrrolidine
1-(1-Ethylpyrrolidin-2-yl)methanamine
(1-Ethylpyrrolidin-2-yl)methanamine
N-[(1-Ethylpyrrolidin-2-yl)methyl]amine
N-Ethyl-2-aminomethyltetrahydropyrrolidine

Work with 2-Aminomethyl-1-ethylpyrrolidine

Predict the NMR spectrum1H and 13C shifts with multiplicities Make a solutionWhat to weigh for any molarity and volume Check drug-likenessLipinski, Veber and lead-likeness Isotope patternExact mass and the mass spectrum pattern

Stereoisomers, salts and isotopologues

The same compound in another form: other stereochemistry, a salt or hydrate, the free acid or base, or an isotope-labelled version.

(2S)-1-Ethyl-2-pyrrolidinemethanamine22795-99-9Defined stereoisomer (2R)-1-Ethyl-2-pyrrolidinemethanamine22795-97-7Defined stereoisomer

Similar compounds

N,N-Diethylcyclohexylamine91-65-648 % similar (S)-1-N-Boc-2-(aminomethyl)pyrrolidine119020-01-837 % similar (+-)-2-(Aminomethyl)-1-N-Boc-pyrrolidine177911-87-437 % similar 2-(2-Aminoethyl)-1-methylpyrrolidine51387-90-736 % similar N,N-Diethyl-1,4-pentanediamine140-80-735 % similar (6S)-1,4-Diazabicyclo(4.3.0)nonane93643-24-434 % similar 4-Aminomethyl-1-N-butylpiperidine65017-57-434 % similar 2-(Aminomethyl)-1-boc-piperidine370069-31-133 % similar

Tanimoto similarity of circular fingerprints over the whole catalogue.

All similar compounds

Same formula

(1-Methylpiperidin-3-yl)methanamine14613-37-7 1-Propylpiperazine21867-64-1 1-Pyrrolidinepropanamine23159-07-1 1-Piperidineethanamine27578-60-5 1-Ethylhomopiperazine3619-73-6 Isopropylpiperazine4318-42-7

Elsewhere

PubChem CAS Common Chemistry NIST WebBook