(3Z,5Z)-N-[(2E)-3-methylpenta-2,4-dien-2-yl]hepta-3,5-dien-2-imine

C13H19N — CID 170212144

IUPAC(3Z,5Z)-N-[(2E)-3-methylpenta-2,4-dien-2-yl]hepta-3,5-dien-2-imine
SMILESC=C/C(C)=C(C)/N=C(C)/C=C\C=C/C
InChIInChI=1S/C13H19N/c1-6-8-9-10-12(4)14-13(5)11(3)7-2/h6-10H,2H2,1,3-5H3/b8-6-,10-9-,13-11+,14-12+
InChIKeyWLGULTLDFLJVKN-LPCAUVCWSA-N
MW189.30 g/mol
LogP4.06
Rot. Bonds4

About (3Z,5Z)-N-[(2E)-3-methylpenta-2,4-dien-2-yl]hepta-3,5-dien-2-imine

(3Z,5Z)-N-[(2E)-3-methylpenta-2,4-dien-2-yl]hepta-3,5-dien-2-imine (PubChem CID 170212144) has the molecular formula C13H19N and a molecular weight of 189.30 g/mol. Its IUPAC name is (3Z,5Z)-N-[(2E)-3-methylpenta-2,4-dien-2-yl]hepta-3,5-dien-2-imine.

Molecular Properties

Compound Name(3Z,5Z)-N-[(2E)-3-methylpenta-2,4-dien-2-yl]hepta-3,5-dien-2-imine
PubChem CID170212144
Molecular FormulaC13H19N
Molecular Weight189.30 g/mol
Exact Mass189.15
IUPAC Name(3Z,5Z)-N-[(2E)-3-methylpenta-2,4-dien-2-yl]hepta-3,5-dien-2-imine
SMILESC=C/C(C)=C(C)/N=C(C)/C=C\C=C/C
InChIInChI=1S/C13H19N/c1-6-8-9-10-12(4)14-13(5)11(3)7-2/h6-10H,2H2,1,3-5H3/b8-6-,10-9-,13-11+,14-12+
InChIKeyWLGULTLDFLJVKN-LPCAUVCWSA-N
XLogP4.06
TPSA12.36 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500189.30
LogP ≤ 54.06
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

Analyze (3Z,5Z)-N-[(2E)-3-methylpenta-2,4-dien-2-yl]hepta-3,5-dien-2-imine 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,5Z)-N-[(2E)-3-methylpenta-2,4-dien-2-yl]hepta-3,5-dien-2-imine?
The IUPAC name of (3Z,5Z)-N-[(2E)-3-methylpenta-2,4-dien-2-yl]hepta-3,5-dien-2-imine (CID 170212144) is (3Z,5Z)-N-[(2E)-3-methylpenta-2,4-dien-2-yl]hepta-3,5-dien-2-imine.
What is the SMILES notation for (3Z,5Z)-N-[(2E)-3-methylpenta-2,4-dien-2-yl]hepta-3,5-dien-2-imine?
The canonical SMILES for (3Z,5Z)-N-[(2E)-3-methylpenta-2,4-dien-2-yl]hepta-3,5-dien-2-imine is C=C/C(C)=C(C)/N=C(C)/C=C\C=C/C.
What is the InChIKey of (3Z,5Z)-N-[(2E)-3-methylpenta-2,4-dien-2-yl]hepta-3,5-dien-2-imine?
The InChIKey is WLGULTLDFLJVKN-LPCAUVCWSA-N. The full InChI is InChI=1S/C13H19N/c1-6-8-9-10-12(4)14-13(5)11(3)7-2/h6-10H,2H2,1,3-5H3/b8-6-,10-9-,13-11+,14-12+.
What are the key properties of (3Z,5Z)-N-[(2E)-3-methylpenta-2,4-dien-2-yl]hepta-3,5-dien-2-imine?
(3Z,5Z)-N-[(2E)-3-methylpenta-2,4-dien-2-yl]hepta-3,5-dien-2-imine has a molecular weight of 189.30 g/mol, XLogP of 4.06, 4 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (3Z,5Z)-N-[(2E)-3-methylpenta-2,4-dien-2-yl]hepta-3,5-dien-2-imine is sourced from PubChem (CID 170212144), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).