(3E,4Z,6E)-3-ethylidene-5-methyltetradeca-4,6-dien-2-imine

C17H29N — CID 166922334

IUPAC(3E,4Z,6E)-3-ethylidene-5-methyltetradeca-4,6-dien-2-imine
SMILES[H]/N=C(C)/C(/C=C(C)\C=C\CCCCCCC)=C/C
InChIInChI=1S/C17H29N/c1-5-7-8-9-10-11-12-13-15(3)14-17(6-2)16(4)18/h6,12-14,18H,5,7-11H2,1-4H3/b13-12+,15-14-,17-6+,18-16+
InChIKeyJVSPBKYTRAHWAO-MZVFSOGWSA-N
MW247.43 g/mol
LogP5.84
Rot. Bonds9

About (3E,4Z,6E)-3-ethylidene-5-methyltetradeca-4,6-dien-2-imine

(3E,4Z,6E)-3-ethylidene-5-methyltetradeca-4,6-dien-2-imine (PubChem CID 166922334) has the molecular formula C17H29N and a molecular weight of 247.43 g/mol. Its IUPAC name is (3E,4Z,6E)-3-ethylidene-5-methyltetradeca-4,6-dien-2-imine.

Molecular Properties

Compound Name(3E,4Z,6E)-3-ethylidene-5-methyltetradeca-4,6-dien-2-imine
PubChem CID166922334
Molecular FormulaC17H29N
Molecular Weight247.43 g/mol
Exact Mass247.23
IUPAC Name(3E,4Z,6E)-3-ethylidene-5-methyltetradeca-4,6-dien-2-imine
SMILES[H]/N=C(C)/C(/C=C(C)\C=C\CCCCCCC)=C/C
InChIInChI=1S/C17H29N/c1-5-7-8-9-10-11-12-13-15(3)14-17(6-2)16(4)18/h6,12-14,18H,5,7-11H2,1-4H3/b13-12+,15-14-,17-6+,18-16+
InChIKeyJVSPBKYTRAHWAO-MZVFSOGWSA-N
XLogP5.84
TPSA23.85 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds9
Heavy Atoms18
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500247.43
LogP ≤ 55.84
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

Analyze (3E,4Z,6E)-3-ethylidene-5-methyltetradeca-4,6-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 (3E,4Z,6E)-3-ethylidene-5-methyltetradeca-4,6-dien-2-imine?
The IUPAC name of (3E,4Z,6E)-3-ethylidene-5-methyltetradeca-4,6-dien-2-imine (CID 166922334) is (3E,4Z,6E)-3-ethylidene-5-methyltetradeca-4,6-dien-2-imine.
What is the SMILES notation for (3E,4Z,6E)-3-ethylidene-5-methyltetradeca-4,6-dien-2-imine?
The canonical SMILES for (3E,4Z,6E)-3-ethylidene-5-methyltetradeca-4,6-dien-2-imine is [H]/N=C(C)/C(/C=C(C)\C=C\CCCCCCC)=C/C.
What is the InChIKey of (3E,4Z,6E)-3-ethylidene-5-methyltetradeca-4,6-dien-2-imine?
The InChIKey is JVSPBKYTRAHWAO-MZVFSOGWSA-N. The full InChI is InChI=1S/C17H29N/c1-5-7-8-9-10-11-12-13-15(3)14-17(6-2)16(4)18/h6,12-14,18H,5,7-11H2,1-4H3/b13-12+,15-14-,17-6+,18-16+.
What are the key properties of (3E,4Z,6E)-3-ethylidene-5-methyltetradeca-4,6-dien-2-imine?
(3E,4Z,6E)-3-ethylidene-5-methyltetradeca-4,6-dien-2-imine has a molecular weight of 247.43 g/mol, XLogP of 5.84, 9 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (3E,4Z,6E)-3-ethylidene-5-methyltetradeca-4,6-dien-2-imine is sourced from PubChem (CID 166922334), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).