(5E)-5-(3,4-dihydropyridin-2-yl)hepta-1,5-dien-2-amine

C12H18N2 — CID 89188349

IUPAC(5E)-5-(3,4-dihydropyridin-2-yl)hepta-1,5-dien-2-amine
SMILESC=C(N)CC/C(=C\C)C1=NC=CCC1
InChIInChI=1S/C12H18N2/c1-3-11(8-7-10(2)13)12-6-4-5-9-14-12/h3,5,9H,2,4,6-8,13H2,1H3/b11-3+
InChIKeyNEJXQGPVCKZIBO-QDEBKDIKSA-N
MW190.29 g/mol
LogP2.93
Rot. Bonds4

About (5E)-5-(3,4-dihydropyridin-2-yl)hepta-1,5-dien-2-amine

(5E)-5-(3,4-dihydropyridin-2-yl)hepta-1,5-dien-2-amine (PubChem CID 89188349) has the molecular formula C12H18N2 and a molecular weight of 190.29 g/mol. Its IUPAC name is (5E)-5-(3,4-dihydropyridin-2-yl)hepta-1,5-dien-2-amine.

Molecular Properties

Compound Name(5E)-5-(3,4-dihydropyridin-2-yl)hepta-1,5-dien-2-amine
PubChem CID89188349
Molecular FormulaC12H18N2
Molecular Weight190.29 g/mol
Exact Mass190.15
IUPAC Name(5E)-5-(3,4-dihydropyridin-2-yl)hepta-1,5-dien-2-amine
SMILESC=C(N)CC/C(=C\C)C1=NC=CCC1
InChIInChI=1S/C12H18N2/c1-3-11(8-7-10(2)13)12-6-4-5-9-14-12/h3,5,9H,2,4,6-8,13H2,1H3/b11-3+
InChIKeyNEJXQGPVCKZIBO-QDEBKDIKSA-N
XLogP2.93
TPSA38.38 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500190.29
LogP ≤ 52.93
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze (5E)-5-(3,4-dihydropyridin-2-yl)hepta-1,5-dien-2-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 (5E)-5-(3,4-dihydropyridin-2-yl)hepta-1,5-dien-2-amine?
The IUPAC name of (5E)-5-(3,4-dihydropyridin-2-yl)hepta-1,5-dien-2-amine (CID 89188349) is (5E)-5-(3,4-dihydropyridin-2-yl)hepta-1,5-dien-2-amine.
What is the SMILES notation for (5E)-5-(3,4-dihydropyridin-2-yl)hepta-1,5-dien-2-amine?
The canonical SMILES for (5E)-5-(3,4-dihydropyridin-2-yl)hepta-1,5-dien-2-amine is C=C(N)CC/C(=C\C)C1=NC=CCC1.
What is the InChIKey of (5E)-5-(3,4-dihydropyridin-2-yl)hepta-1,5-dien-2-amine?
The InChIKey is NEJXQGPVCKZIBO-QDEBKDIKSA-N. The full InChI is InChI=1S/C12H18N2/c1-3-11(8-7-10(2)13)12-6-4-5-9-14-12/h3,5,9H,2,4,6-8,13H2,1H3/b11-3+.
What are the key properties of (5E)-5-(3,4-dihydropyridin-2-yl)hepta-1,5-dien-2-amine?
(5E)-5-(3,4-dihydropyridin-2-yl)hepta-1,5-dien-2-amine has a molecular weight of 190.29 g/mol, XLogP of 2.93, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (5E)-5-(3,4-dihydropyridin-2-yl)hepta-1,5-dien-2-amine is sourced from PubChem (CID 89188349), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).