(E)-4-(2,3-dihydropyridin-5-yl)-N-methylbut-3-en-1-amine

C10H16N2 — CID 142970846

IUPAC(E)-4-(2,3-dihydropyridin-5-yl)-N-methylbut-3-en-1-amine
SMILESCNCC/C=C/C1=CCCN=C1
InChIInChI=1S/C10H16N2/c1-11-7-3-2-5-10-6-4-8-12-9-10/h2,5-6,9,11H,3-4,7-8H2,1H3/b5-2+
InChIKeyKMEMSUHBHBEEKM-GORDUTHDSA-N
MW164.25 g/mol
LogP1.55
Rot. Bonds4

About (E)-4-(2,3-dihydropyridin-5-yl)-N-methylbut-3-en-1-amine

(E)-4-(2,3-dihydropyridin-5-yl)-N-methylbut-3-en-1-amine (PubChem CID 142970846) has the molecular formula C10H16N2 and a molecular weight of 164.25 g/mol. Its IUPAC name is (E)-4-(2,3-dihydropyridin-5-yl)-N-methylbut-3-en-1-amine.

Molecular Properties

Compound Name(E)-4-(2,3-dihydropyridin-5-yl)-N-methylbut-3-en-1-amine
PubChem CID142970846
Molecular FormulaC10H16N2
Molecular Weight164.25 g/mol
Exact Mass164.13
IUPAC Name(E)-4-(2,3-dihydropyridin-5-yl)-N-methylbut-3-en-1-amine
SMILESCNCC/C=C/C1=CCCN=C1
InChIInChI=1S/C10H16N2/c1-11-7-3-2-5-10-6-4-8-12-9-10/h2,5-6,9,11H,3-4,7-8H2,1H3/b5-2+
InChIKeyKMEMSUHBHBEEKM-GORDUTHDSA-N
XLogP1.55
TPSA24.39 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500164.25
LogP ≤ 51.55
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze (E)-4-(2,3-dihydropyridin-5-yl)-N-methylbut-3-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 (E)-4-(2,3-dihydropyridin-5-yl)-N-methylbut-3-en-1-amine?
The IUPAC name of (E)-4-(2,3-dihydropyridin-5-yl)-N-methylbut-3-en-1-amine (CID 142970846) is (E)-4-(2,3-dihydropyridin-5-yl)-N-methylbut-3-en-1-amine.
What is the SMILES notation for (E)-4-(2,3-dihydropyridin-5-yl)-N-methylbut-3-en-1-amine?
The canonical SMILES for (E)-4-(2,3-dihydropyridin-5-yl)-N-methylbut-3-en-1-amine is CNCC/C=C/C1=CCCN=C1.
What is the InChIKey of (E)-4-(2,3-dihydropyridin-5-yl)-N-methylbut-3-en-1-amine?
The InChIKey is KMEMSUHBHBEEKM-GORDUTHDSA-N. The full InChI is InChI=1S/C10H16N2/c1-11-7-3-2-5-10-6-4-8-12-9-10/h2,5-6,9,11H,3-4,7-8H2,1H3/b5-2+.
What are the key properties of (E)-4-(2,3-dihydropyridin-5-yl)-N-methylbut-3-en-1-amine?
(E)-4-(2,3-dihydropyridin-5-yl)-N-methylbut-3-en-1-amine has a molecular weight of 164.25 g/mol, XLogP of 1.55, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-4-(2,3-dihydropyridin-5-yl)-N-methylbut-3-en-1-amine is sourced from PubChem (CID 142970846), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).