(2S)-1-Ethyl-2-pyrrolidinemethanamine

C₇H₁₆N₂CAS 22795-99-9128.22 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
logP: 0.43Crippen estimate
Polar surface area: 29.3 Å²
H-bond donors / acceptors: 1 / 2
Rotatable bonds: 2
Stereocentres: Sin SMILES atom order

Hazards

Warning

H226 Flammable liquid and vapor97.8% of notifiers
H315 Causes skin irritation91.1% of notifiers
H319 Causes serious eye irritation91.1% of notifiers
H335 May cause respiratory irritation95.6% of notifiers

Aggregated from 45 ECHA notifications, via PubChem; a share says how many notifiers assign that statement.

Precautionary statements

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

Identifiers

CAS number

22795-99-9

SMILES

CCN1CCC[C@H]1CN

InChIKey

UNRBEYYLYRXYCG-ZETCQYMHSA-N

InChI

InChI=1S/C7H16N2/c1-2-9-5-3-4-7(9)6-8/h7H,2-6,8H2,1H3/t7-/m0/s1

Weigh it out

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

Names and synonyms

16 names · show all

2-Pyrrolidinemethanamine, 1-ethyl-, (2S)-
Pyrrolidine, 2-(aminomethyl)-1-ethyl-, (-)-
2-Pyrrolidinemethanamine, 1-ethyl-, (S)-
(-)-1-Ethyl-2-(aminomethyl)pyrrolidine
(S)-(-)-1-Ethyl-2-pyrrolidinemethanamine
(-)-2-(Aminomethyl)-1-ethylpyrrolidine
(S)-2-(Aminomethyl)-1-ethylpyrrolidine
(S)-(-)-2-(Aminomethyl)-1-ethylpyrrolidine
S-(-)-2-(Aminomethyl)-N-ethylpyrrolidine
(-)-(S)-2-(Aminomethyl)-1-ethylpyrrolidine
[[(2S)-1-Ethylpyrrolidin-2-yl]methyl]amine
(S)-(1-Ethylpyrrolidin-2-yl)methanamine
[((S)-1-Ethylpyrrolidin-2-yl)methyl]amine
[(2S)-1-Ethylpyrrolidin-2-yl]methanamine
2-Pyrrolidinemethanamine 1-ethyl-, (2S)-
(S)-(-)-2-Aminomethyl-1-ethylpyrrolidine

Work with (2S)-1-Ethyl-2-pyrrolidinemethanamine

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.

(2R)-1-Ethyl-2-pyrrolidinemethanamine22795-97-7Enantiomer 2-Aminomethyl-1-ethylpyrrolidine26116-12-1Stereo not defined

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

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