[(2S)-1-ethylpyrrolidin-2-yl]methanamine

C7H16N2 — CID 643457

IUPAC[(2S)-1-ethylpyrrolidin-2-yl]methanamine
SMILESCCN1CCC[C@H]1CN
InChIInChI=1S/C7H16N2/c1-2-9-5-3-4-7(9)6-8/h7H,2-6,8H2,1H3/t7-/m0/s1
InChIKeyUNRBEYYLYRXYCG-ZETCQYMHSA-N
MW128.22 g/mol
LogP0.43
Rot. Bonds2

About [(2S)-1-ethylpyrrolidin-2-yl]methanamine

[(2S)-1-ethylpyrrolidin-2-yl]methanamine (PubChem CID 643457) has the molecular formula C7H16N2 and a molecular weight of 128.22 g/mol. Its IUPAC name is [(2S)-1-ethylpyrrolidin-2-yl]methanamine.

Molecular Properties

Compound Name[(2S)-1-ethylpyrrolidin-2-yl]methanamine
PubChem CID643457
Molecular FormulaC7H16N2
Molecular Weight128.22 g/mol
Exact Mass128.13
IUPAC Name[(2S)-1-ethylpyrrolidin-2-yl]methanamine
SMILESCCN1CCC[C@H]1CN
InChIInChI=1S/C7H16N2/c1-2-9-5-3-4-7(9)6-8/h7H,2-6,8H2,1H3/t7-/m0/s1
InChIKeyUNRBEYYLYRXYCG-ZETCQYMHSA-N
XLogP0.43
TPSA29.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500128.22
LogP ≤ 50.43
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze [(2S)-1-ethylpyrrolidin-2-yl]methanamine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of [(2S)-1-ethylpyrrolidin-2-yl]methanamine?
The IUPAC name of [(2S)-1-ethylpyrrolidin-2-yl]methanamine (CID 643457) is [(2S)-1-ethylpyrrolidin-2-yl]methanamine.
What is the SMILES notation for [(2S)-1-ethylpyrrolidin-2-yl]methanamine?
The canonical SMILES for [(2S)-1-ethylpyrrolidin-2-yl]methanamine is CCN1CCC[C@H]1CN.
What is the InChIKey of [(2S)-1-ethylpyrrolidin-2-yl]methanamine?
The InChIKey is UNRBEYYLYRXYCG-ZETCQYMHSA-N. The full InChI is InChI=1S/C7H16N2/c1-2-9-5-3-4-7(9)6-8/h7H,2-6,8H2,1H3/t7-/m0/s1.
What are the key properties of [(2S)-1-ethylpyrrolidin-2-yl]methanamine?
[(2S)-1-ethylpyrrolidin-2-yl]methanamine has a molecular weight of 128.22 g/mol, XLogP of 0.43, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [(2S)-1-ethylpyrrolidin-2-yl]methanamine is sourced from PubChem (CID 643457), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).