(3Z,5E,7E,9Z)-7-ethylidene-5-methanimidoyl-N,9,10-trimethyl-8-methyliminotrideca-3,5,9-trien-4-amine

C20H33N3 — CID 167207015

IUPAC(3Z,5E,7E,9Z)-7-ethylidene-5-methanimidoyl-N,9,10-trimethyl-8-methyliminotrideca-3,5,9-trien-4-amine
SMILES[H]/N=C/C(=C/C(=C/C)C(=NC)/C(C)=C(/C)CCC)/C(=C/CC)NC
InChIInChI=1S/C20H33N3/c1-8-11-15(4)16(5)20(23-7)17(10-3)13-18(14-21)19(22-6)12-9-2/h10,12-14,21-22H,8-9,11H2,1-7H3/b16-15-,17-10-,18-13-,19-12-,21-14+,23-20+
InChIKeyKRKUOOAXYHQZRV-MEKQXTLGSA-N
MW315.50 g/mol
LogP5.23
Rot. Bonds9

About (3Z,5E,7E,9Z)-7-ethylidene-5-methanimidoyl-N,9,10-trimethyl-8-methyliminotrideca-3,5,9-trien-4-amine

(3Z,5E,7E,9Z)-7-ethylidene-5-methanimidoyl-N,9,10-trimethyl-8-methyliminotrideca-3,5,9-trien-4-amine (PubChem CID 167207015) has the molecular formula C20H33N3 and a molecular weight of 315.50 g/mol. Its IUPAC name is (3Z,5E,7E,9Z)-7-ethylidene-5-methanimidoyl-N,9,10-trimethyl-8-methyliminotrideca-3,5,9-trien-4-amine.

Molecular Properties

Compound Name(3Z,5E,7E,9Z)-7-ethylidene-5-methanimidoyl-N,9,10-trimethyl-8-methyliminotrideca-3,5,9-trien-4-amine
PubChem CID167207015
Molecular FormulaC20H33N3
Molecular Weight315.50 g/mol
Exact Mass315.27
IUPAC Name(3Z,5E,7E,9Z)-7-ethylidene-5-methanimidoyl-N,9,10-trimethyl-8-methyliminotrideca-3,5,9-trien-4-amine
SMILES[H]/N=C/C(=C/C(=C/C)C(=NC)/C(C)=C(/C)CCC)/C(=C/CC)NC
InChIInChI=1S/C20H33N3/c1-8-11-15(4)16(5)20(23-7)17(10-3)13-18(14-21)19(22-6)12-9-2/h10,12-14,21-22H,8-9,11H2,1-7H3/b16-15-,17-10-,18-13-,19-12-,21-14+,23-20+
InChIKeyKRKUOOAXYHQZRV-MEKQXTLGSA-N
XLogP5.23
TPSA48.24 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds9
Heavy Atoms23
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500315.50
LogP ≤ 55.23
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'polyene', 'substructure': 'N/A'}

Analyze (3Z,5E,7E,9Z)-7-ethylidene-5-methanimidoyl-N,9,10-trimethyl-8-methyliminotrideca-3,5,9-trien-4-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 (3Z,5E,7E,9Z)-7-ethylidene-5-methanimidoyl-N,9,10-trimethyl-8-methyliminotrideca-3,5,9-trien-4-amine?
The IUPAC name of (3Z,5E,7E,9Z)-7-ethylidene-5-methanimidoyl-N,9,10-trimethyl-8-methyliminotrideca-3,5,9-trien-4-amine (CID 167207015) is (3Z,5E,7E,9Z)-7-ethylidene-5-methanimidoyl-N,9,10-trimethyl-8-methyliminotrideca-3,5,9-trien-4-amine.
What is the SMILES notation for (3Z,5E,7E,9Z)-7-ethylidene-5-methanimidoyl-N,9,10-trimethyl-8-methyliminotrideca-3,5,9-trien-4-amine?
The canonical SMILES for (3Z,5E,7E,9Z)-7-ethylidene-5-methanimidoyl-N,9,10-trimethyl-8-methyliminotrideca-3,5,9-trien-4-amine is [H]/N=C/C(=C/C(=C/C)C(=NC)/C(C)=C(/C)CCC)/C(=C/CC)NC.
What is the InChIKey of (3Z,5E,7E,9Z)-7-ethylidene-5-methanimidoyl-N,9,10-trimethyl-8-methyliminotrideca-3,5,9-trien-4-amine?
The InChIKey is KRKUOOAXYHQZRV-MEKQXTLGSA-N. The full InChI is InChI=1S/C20H33N3/c1-8-11-15(4)16(5)20(23-7)17(10-3)13-18(14-21)19(22-6)12-9-2/h10,12-14,21-22H,8-9,11H2,1-7H3/b16-15-,17-10-,18-13-,19-12-,21-14+,23-20+.
What are the key properties of (3Z,5E,7E,9Z)-7-ethylidene-5-methanimidoyl-N,9,10-trimethyl-8-methyliminotrideca-3,5,9-trien-4-amine?
(3Z,5E,7E,9Z)-7-ethylidene-5-methanimidoyl-N,9,10-trimethyl-8-methyliminotrideca-3,5,9-trien-4-amine has a molecular weight of 315.50 g/mol, XLogP of 5.23, 9 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (3Z,5E,7E,9Z)-7-ethylidene-5-methanimidoyl-N,9,10-trimethyl-8-methyliminotrideca-3,5,9-trien-4-amine is sourced from PubChem (CID 167207015), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).