chempirical

(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

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

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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

(3R)-N-Methyl-3-pyrrolidinamine139015-33-152 % similar Cyclohexylethylamine5459-93-848 % similar N-Methyl-4-piperidinamine45584-07-438 % similar N-Ethyl-2-propanamine19961-27-436 % similar (Cyclopropylmethyl)propylamine26389-60-636 % similar (S)-3-(Boc-amino)pyrrolidine122536-76-935 % similar N,N′-Diethylethylenediamine111-74-035 % similar 4-Piperidinamine, N-methyl-, hydrochloride (1:2)1220039-56-434 % 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 2-Ethylpiperazine13961-37-0 cis-1,2-Cyclohexanediamine1436-59-5 (-)-trans-1,2-Diaminocyclohexane20439-47-8

Elsewhere

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