2-N-[(E)-3-pyridin-3-ylprop-2-enyl]benzene-1,2-diamine

C14H15N3 — CID 19796340

IUPAC2-N-[(E)-3-pyridin-3-ylprop-2-enyl]benzene-1,2-diamine
SMILESNc1ccccc1NC/C=C/c1cccnc1
InChIInChI=1S/C14H15N3/c15-13-7-1-2-8-14(13)17-10-4-6-12-5-3-9-16-11-12/h1-9,11,17H,10,15H2/b6-4+
InChIKeyOEKCJQZJKLRGPP-GQCTYLIASA-N
MW225.30 g/mol
LogP2.79
Rot. Bonds4

About 2-N-[(E)-3-pyridin-3-ylprop-2-enyl]benzene-1,2-diamine

2-N-[(E)-3-pyridin-3-ylprop-2-enyl]benzene-1,2-diamine (PubChem CID 19796340) has the molecular formula C14H15N3 and a molecular weight of 225.30 g/mol. Its IUPAC name is 2-N-[(E)-3-pyridin-3-ylprop-2-enyl]benzene-1,2-diamine.

Molecular Properties

Compound Name2-N-[(E)-3-pyridin-3-ylprop-2-enyl]benzene-1,2-diamine
PubChem CID19796340
Molecular FormulaC14H15N3
Molecular Weight225.30 g/mol
Exact Mass225.13
IUPAC Name2-N-[(E)-3-pyridin-3-ylprop-2-enyl]benzene-1,2-diamine
SMILESNc1ccccc1NC/C=C/c1cccnc1
InChIInChI=1S/C14H15N3/c15-13-7-1-2-8-14(13)17-10-4-6-12-5-3-9-16-11-12/h1-9,11,17H,10,15H2/b6-4+
InChIKeyOEKCJQZJKLRGPP-GQCTYLIASA-N
XLogP2.79
TPSA50.94 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500225.30
LogP ≤ 52.79
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze 2-N-[(E)-3-pyridin-3-ylprop-2-enyl]benzene-1,2-diamine with MolForge

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

Launch Full Analysis

Related Compounds

2-N-[(E)-3-phenylprop-2-enyl]benzene-1,2-diamine
CID 6508892
(E)-N-(2-aminophenyl)-3-pyridin-3-ylprop-2-enamide
CID 168818983
2-N-(pyridin-3-ylmethyl)benzene-1,2-diamine
CID 22184587
3-[(E)-2-pyridin-3-ylethenyl]pyridine;zinc
CID 175746701
4-pyridin-3-ylbut-3-enenitrile
CID 170799077
(E)-4-pyridin-3-ylbut-3-enamide
CID 141387555
methyl (E)-4-pyridin-3-ylbut-3-enoate
CID 11513847
2-iodo-N-(3-phenylprop-2-enyl)aniline
CID 78944181
3-(4-phenylbuta-1,3-dienyl)pyridine
CID 71359861
9H-fluoren-9-ylmethyl N-(3-pyridin-3-ylprop-2-enyl)carbamate
CID 169468939
N-[(E)-3-phenylprop-2-enyl]naphthalen-1-amine
CID 7949251
4-pyridin-3-ylbut-3-enoic acid
CID 439

Frequently Asked Questions

What is the IUPAC name of 2-N-[(E)-3-pyridin-3-ylprop-2-enyl]benzene-1,2-diamine?
The IUPAC name of 2-N-[(E)-3-pyridin-3-ylprop-2-enyl]benzene-1,2-diamine (CID 19796340) is 2-N-[(E)-3-pyridin-3-ylprop-2-enyl]benzene-1,2-diamine.
What is the SMILES notation for 2-N-[(E)-3-pyridin-3-ylprop-2-enyl]benzene-1,2-diamine?
The canonical SMILES for 2-N-[(E)-3-pyridin-3-ylprop-2-enyl]benzene-1,2-diamine is Nc1ccccc1NC/C=C/c1cccnc1.
What is the InChIKey of 2-N-[(E)-3-pyridin-3-ylprop-2-enyl]benzene-1,2-diamine?
The InChIKey is OEKCJQZJKLRGPP-GQCTYLIASA-N. The full InChI is InChI=1S/C14H15N3/c15-13-7-1-2-8-14(13)17-10-4-6-12-5-3-9-16-11-12/h1-9,11,17H,10,15H2/b6-4+.
What are the key properties of 2-N-[(E)-3-pyridin-3-ylprop-2-enyl]benzene-1,2-diamine?
2-N-[(E)-3-pyridin-3-ylprop-2-enyl]benzene-1,2-diamine has a molecular weight of 225.30 g/mol, XLogP of 2.79, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-N-[(E)-3-pyridin-3-ylprop-2-enyl]benzene-1,2-diamine is sourced from PubChem (CID 19796340), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).