3-methylimino-1-[(2S)-pyrrolidin-2-yl]prop-1-en-1-amine

C8H15N3 — CID 174133906

IUPAC3-methylimino-1-[(2S)-pyrrolidin-2-yl]prop-1-en-1-amine
SMILESC/N=C/C=C(N)[C@@H]1CCCN1
InChIInChI=1S/C8H15N3/c1-10-6-4-7(9)8-3-2-5-11-8/h4,6,8,11H,2-3,5,9H2,1H3/b7-4?,10-6+/t8-/m0/s1
InChIKeyLEDKKBYJTGPBNH-ZOPQDCOASA-N
MW153.23 g/mol
LogP0.28
Rot. Bonds2

About 3-methylimino-1-[(2S)-pyrrolidin-2-yl]prop-1-en-1-amine

3-methylimino-1-[(2S)-pyrrolidin-2-yl]prop-1-en-1-amine (PubChem CID 174133906) has the molecular formula C8H15N3 and a molecular weight of 153.23 g/mol. Its IUPAC name is 3-methylimino-1-[(2S)-pyrrolidin-2-yl]prop-1-en-1-amine.

Molecular Properties

Compound Name3-methylimino-1-[(2S)-pyrrolidin-2-yl]prop-1-en-1-amine
PubChem CID174133906
Molecular FormulaC8H15N3
Molecular Weight153.23 g/mol
Exact Mass153.13
IUPAC Name3-methylimino-1-[(2S)-pyrrolidin-2-yl]prop-1-en-1-amine
SMILESC/N=C/C=C(N)[C@@H]1CCCN1
InChIInChI=1S/C8H15N3/c1-10-6-4-7(9)8-3-2-5-11-8/h4,6,8,11H,2-3,5,9H2,1H3/b7-4?,10-6+/t8-/m0/s1
InChIKeyLEDKKBYJTGPBNH-ZOPQDCOASA-N
XLogP0.28
TPSA50.41 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500153.23
LogP ≤ 50.28
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}

Analyze 3-methylimino-1-[(2S)-pyrrolidin-2-yl]prop-1-en-1-amine 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 3-methylimino-1-[(2S)-pyrrolidin-2-yl]prop-1-en-1-amine?
The IUPAC name of 3-methylimino-1-[(2S)-pyrrolidin-2-yl]prop-1-en-1-amine (CID 174133906) is 3-methylimino-1-[(2S)-pyrrolidin-2-yl]prop-1-en-1-amine.
What is the SMILES notation for 3-methylimino-1-[(2S)-pyrrolidin-2-yl]prop-1-en-1-amine?
The canonical SMILES for 3-methylimino-1-[(2S)-pyrrolidin-2-yl]prop-1-en-1-amine is C/N=C/C=C(N)[C@@H]1CCCN1.
What is the InChIKey of 3-methylimino-1-[(2S)-pyrrolidin-2-yl]prop-1-en-1-amine?
The InChIKey is LEDKKBYJTGPBNH-ZOPQDCOASA-N. The full InChI is InChI=1S/C8H15N3/c1-10-6-4-7(9)8-3-2-5-11-8/h4,6,8,11H,2-3,5,9H2,1H3/b7-4?,10-6+/t8-/m0/s1.
What are the key properties of 3-methylimino-1-[(2S)-pyrrolidin-2-yl]prop-1-en-1-amine?
3-methylimino-1-[(2S)-pyrrolidin-2-yl]prop-1-en-1-amine has a molecular weight of 153.23 g/mol, XLogP of 0.28, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methylimino-1-[(2S)-pyrrolidin-2-yl]prop-1-en-1-amine is sourced from PubChem (CID 174133906), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).