(E)-2-(1,2-dihydropyridin-2-yl)prop-1-ene-1,3-diamine

C8H13N3 — CID 118970152

IUPAC(E)-2-(1,2-dihydropyridin-2-yl)prop-1-ene-1,3-diamine
SMILESN/C=C(\CN)C1C=CC=CN1
InChIInChI=1S/C8H13N3/c9-5-7(6-10)8-3-1-2-4-11-8/h1-5,8,11H,6,9-10H2/b7-5+
InChIKeyZPVLKCIXAMXEDR-FNORWQNLSA-N
MW151.21 g/mol
LogP-0.17
Rot. Bonds2

About (E)-2-(1,2-dihydropyridin-2-yl)prop-1-ene-1,3-diamine

(E)-2-(1,2-dihydropyridin-2-yl)prop-1-ene-1,3-diamine (PubChem CID 118970152) has the molecular formula C8H13N3 and a molecular weight of 151.21 g/mol. Its IUPAC name is (E)-2-(1,2-dihydropyridin-2-yl)prop-1-ene-1,3-diamine.

Molecular Properties

Compound Name(E)-2-(1,2-dihydropyridin-2-yl)prop-1-ene-1,3-diamine
PubChem CID118970152
Molecular FormulaC8H13N3
Molecular Weight151.21 g/mol
Exact Mass151.11
IUPAC Name(E)-2-(1,2-dihydropyridin-2-yl)prop-1-ene-1,3-diamine
SMILESN/C=C(\CN)C1C=CC=CN1
InChIInChI=1S/C8H13N3/c9-5-7(6-10)8-3-1-2-4-11-8/h1-5,8,11H,6,9-10H2/b7-5+
InChIKeyZPVLKCIXAMXEDR-FNORWQNLSA-N
XLogP-0.17
TPSA64.07 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500151.21
LogP ≤ 5-0.17
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Analyze (E)-2-(1,2-dihydropyridin-2-yl)prop-1-ene-1,3-diamine 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 (E)-2-(1,2-dihydropyridin-2-yl)prop-1-ene-1,3-diamine?
The IUPAC name of (E)-2-(1,2-dihydropyridin-2-yl)prop-1-ene-1,3-diamine (CID 118970152) is (E)-2-(1,2-dihydropyridin-2-yl)prop-1-ene-1,3-diamine.
What is the SMILES notation for (E)-2-(1,2-dihydropyridin-2-yl)prop-1-ene-1,3-diamine?
The canonical SMILES for (E)-2-(1,2-dihydropyridin-2-yl)prop-1-ene-1,3-diamine is N/C=C(\CN)C1C=CC=CN1.
What is the InChIKey of (E)-2-(1,2-dihydropyridin-2-yl)prop-1-ene-1,3-diamine?
The InChIKey is ZPVLKCIXAMXEDR-FNORWQNLSA-N. The full InChI is InChI=1S/C8H13N3/c9-5-7(6-10)8-3-1-2-4-11-8/h1-5,8,11H,6,9-10H2/b7-5+.
What are the key properties of (E)-2-(1,2-dihydropyridin-2-yl)prop-1-ene-1,3-diamine?
(E)-2-(1,2-dihydropyridin-2-yl)prop-1-ene-1,3-diamine has a molecular weight of 151.21 g/mol, XLogP of -0.17, 2 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-2-(1,2-dihydropyridin-2-yl)prop-1-ene-1,3-diamine is sourced from PubChem (CID 118970152), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).