5-methyl-6-[(4E)-2-methylhepta-2,4-dien-4-yl]-3,4-dihydropyridin-2-amine

C14H22N2 — CID 163248480

IUPAC5-methyl-6-[(4E)-2-methylhepta-2,4-dien-4-yl]-3,4-dihydropyridin-2-amine
SMILESCC/C=C(\C=C(C)C)C1=C(C)CCC(N)=N1
InChIInChI=1S/C14H22N2/c1-5-6-12(9-10(2)3)14-11(4)7-8-13(15)16-14/h6,9H,5,7-8H2,1-4H3,(H2,15,16)/b12-6+
InChIKeyWAYHLOWUXQEZDM-WUXMJOGZSA-N
MW218.34 g/mol
LogP3.71
Rot. Bonds3

About 5-methyl-6-[(4E)-2-methylhepta-2,4-dien-4-yl]-3,4-dihydropyridin-2-amine

5-methyl-6-[(4E)-2-methylhepta-2,4-dien-4-yl]-3,4-dihydropyridin-2-amine (PubChem CID 163248480) has the molecular formula C14H22N2 and a molecular weight of 218.34 g/mol. Its IUPAC name is 5-methyl-6-[(4E)-2-methylhepta-2,4-dien-4-yl]-3,4-dihydropyridin-2-amine.

Molecular Properties

Compound Name5-methyl-6-[(4E)-2-methylhepta-2,4-dien-4-yl]-3,4-dihydropyridin-2-amine
PubChem CID163248480
Molecular FormulaC14H22N2
Molecular Weight218.34 g/mol
Exact Mass218.18
IUPAC Name5-methyl-6-[(4E)-2-methylhepta-2,4-dien-4-yl]-3,4-dihydropyridin-2-amine
SMILESCC/C=C(\C=C(C)C)C1=C(C)CCC(N)=N1
InChIInChI=1S/C14H22N2/c1-5-6-12(9-10(2)3)14-11(4)7-8-13(15)16-14/h6,9H,5,7-8H2,1-4H3,(H2,15,16)/b12-6+
InChIKeyWAYHLOWUXQEZDM-WUXMJOGZSA-N
XLogP3.71
TPSA38.38 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500218.34
LogP ≤ 53.71
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze 5-methyl-6-[(4E)-2-methylhepta-2,4-dien-4-yl]-3,4-dihydropyridin-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 5-methyl-6-[(4E)-2-methylhepta-2,4-dien-4-yl]-3,4-dihydropyridin-2-amine?
The IUPAC name of 5-methyl-6-[(4E)-2-methylhepta-2,4-dien-4-yl]-3,4-dihydropyridin-2-amine (CID 163248480) is 5-methyl-6-[(4E)-2-methylhepta-2,4-dien-4-yl]-3,4-dihydropyridin-2-amine.
What is the SMILES notation for 5-methyl-6-[(4E)-2-methylhepta-2,4-dien-4-yl]-3,4-dihydropyridin-2-amine?
The canonical SMILES for 5-methyl-6-[(4E)-2-methylhepta-2,4-dien-4-yl]-3,4-dihydropyridin-2-amine is CC/C=C(\C=C(C)C)C1=C(C)CCC(N)=N1.
What is the InChIKey of 5-methyl-6-[(4E)-2-methylhepta-2,4-dien-4-yl]-3,4-dihydropyridin-2-amine?
The InChIKey is WAYHLOWUXQEZDM-WUXMJOGZSA-N. The full InChI is InChI=1S/C14H22N2/c1-5-6-12(9-10(2)3)14-11(4)7-8-13(15)16-14/h6,9H,5,7-8H2,1-4H3,(H2,15,16)/b12-6+.
What are the key properties of 5-methyl-6-[(4E)-2-methylhepta-2,4-dien-4-yl]-3,4-dihydropyridin-2-amine?
5-methyl-6-[(4E)-2-methylhepta-2,4-dien-4-yl]-3,4-dihydropyridin-2-amine has a molecular weight of 218.34 g/mol, XLogP of 3.71, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-methyl-6-[(4E)-2-methylhepta-2,4-dien-4-yl]-3,4-dihydropyridin-2-amine is sourced from PubChem (CID 163248480), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).