(3S)-N-Ethyl-3-pyrrolidinamine

C6H14N2CAS 381670-31-1114.19 g/mol

Open in Covalent MOL file
HNNH
Secondary amine

Properties

Molecular formula
C6H14N2
Molar mass
114.19 g/mol
Exact mass
114.1157 Da
logP
-0.04Crippen estimate
Polar surface area
24.1 Ų
H-bond donors / acceptors
2 / 2
Rotatable bonds
2
Stereocentres
Sin SMILES atom order

Hazards

Danger
Flammable (GHS02)Corrosive (GHS05)

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

Precautionary statements

P210, P233, P240, P241, P242, P243, P260, P264, P264+P265, P280, P301+P330+P331, P302+P361+P354, P303+P361+P353, P304+P340, P305+P354+P338, P316, P317, P321, P363, P370+P378, P403+P235, P405, P501

Identifiers

CAS number
381670-31-1
SMILES
CCN[C@H]1CCNC1
InChIKey
OPCPWFHLFKAUEA-LURJTMIESA-N
InChI
InChI=1S/C6H14N2/c1-2-8-6-3-4-7-5-6/h6-8H,2-5H2,1H3/t6-/m0/s1

Weigh it out

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Names and synonyms

4 names
  • 3-Pyrrolidinamine, N-ethyl-, (3S)-
  • (3S)-3-(Ethylamino)pyrrolidine
  • (3S)-(-)-3-(Ethylamino)pyrrolidine
  • (3S)-N-Ethylpyrrolidin-3-amine

Work with (3S)-N-Ethyl-3-pyrrolidinamine

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

Similar compounds

(3S)-(-)-3-(Methylamino)pyrrolidine139015-32-052 % similar (3R)-N-Methyl-3-pyrrolidinamine139015-33-152 % similar 3-(Methylamino)pyrrolidine83030-08-452 % similar Cyclohexylethylamine5459-93-848 % similar (3R)-(+)-3-Acetamidopyrrolidine131900-62-442 % similar 3-Acetamidopyrrolidine79286-74-142 % similar N-Methyl-4-piperidinamine45584-07-438 % similar N-Ethyl-2-propanamine19961-27-436 % similar

Tanimoto similarity of circular fingerprints over the whole catalogue.

All similar compounds

Same formula

2,5-Dimethylpiperazine106-55-8 1,4-Dimethylpiperazine106-58-1 2,6-Dimethylpiperazine108-49-6 trans-1,2-Diaminocyclohexane1121-22-8 1-Methyl-3-pyrrolidinemethanamine13005-11-3 (3S)-(-)-3-(Dimethylamino)pyrrolidine132883-44-4 (3R)-(+)-3-(Dimethylamino)pyrrolidine132958-72-6 2-Ethylpiperazine13961-37-0

Elsewhere

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