(3E,5Z)-3-but-1-en-2-yl-N-[(Z)-1-(3,3,5,5-tetramethylcyclohexyl)prop-1-enyl]hepta-3,5-dien-2-imine

C24H39N — CID 134286898

IUPAC(3E,5Z)-3-but-1-en-2-yl-N-[(Z)-1-(3,3,5,5-tetramethylcyclohexyl)prop-1-enyl]hepta-3,5-dien-2-imine
SMILESC=C(CC)C(=C\C=C/C)/C(C)=N/C(=C\C)C1CC(C)(C)CC(C)(C)C1
InChIInChI=1S/C24H39N/c1-10-13-14-21(18(4)11-2)19(5)25-22(12-3)20-15-23(6,7)17-24(8,9)16-20/h10,12-14,20H,4,11,15-17H2,1-3,5-9H3/b13-10-,21-14+,22-12-,25-19+
InChIKeyNHPVEWUTZCFDBZ-SCJDENRDSA-N
MW341.58 g/mol
LogP7.67
Rot. Bonds6

About (3E,5Z)-3-but-1-en-2-yl-N-[(Z)-1-(3,3,5,5-tetramethylcyclohexyl)prop-1-enyl]hepta-3,5-dien-2-imine

(3E,5Z)-3-but-1-en-2-yl-N-[(Z)-1-(3,3,5,5-tetramethylcyclohexyl)prop-1-enyl]hepta-3,5-dien-2-imine (PubChem CID 134286898) has the molecular formula C24H39N and a molecular weight of 341.58 g/mol. Its IUPAC name is (3E,5Z)-3-but-1-en-2-yl-N-[(Z)-1-(3,3,5,5-tetramethylcyclohexyl)prop-1-enyl]hepta-3,5-dien-2-imine.

Molecular Properties

Compound Name(3E,5Z)-3-but-1-en-2-yl-N-[(Z)-1-(3,3,5,5-tetramethylcyclohexyl)prop-1-enyl]hepta-3,5-dien-2-imine
PubChem CID134286898
Molecular FormulaC24H39N
Molecular Weight341.58 g/mol
Exact Mass341.31
IUPAC Name(3E,5Z)-3-but-1-en-2-yl-N-[(Z)-1-(3,3,5,5-tetramethylcyclohexyl)prop-1-enyl]hepta-3,5-dien-2-imine
SMILESC=C(CC)C(=C\C=C/C)/C(C)=N/C(=C\C)C1CC(C)(C)CC(C)(C)C1
InChIInChI=1S/C24H39N/c1-10-13-14-21(18(4)11-2)19(5)25-22(12-3)20-15-23(6,7)17-24(8,9)16-20/h10,12-14,20H,4,11,15-17H2,1-3,5-9H3/b13-10-,21-14+,22-12-,25-19+
InChIKeyNHPVEWUTZCFDBZ-SCJDENRDSA-N
XLogP7.67
TPSA12.36 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500341.58
LogP ≤ 57.67
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 (3E,5Z)-3-but-1-en-2-yl-N-[(Z)-1-(3,3,5,5-tetramethylcyclohexyl)prop-1-enyl]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 (3E,5Z)-3-but-1-en-2-yl-N-[(Z)-1-(3,3,5,5-tetramethylcyclohexyl)prop-1-enyl]hepta-3,5-dien-2-imine?
The IUPAC name of (3E,5Z)-3-but-1-en-2-yl-N-[(Z)-1-(3,3,5,5-tetramethylcyclohexyl)prop-1-enyl]hepta-3,5-dien-2-imine (CID 134286898) is (3E,5Z)-3-but-1-en-2-yl-N-[(Z)-1-(3,3,5,5-tetramethylcyclohexyl)prop-1-enyl]hepta-3,5-dien-2-imine.
What is the SMILES notation for (3E,5Z)-3-but-1-en-2-yl-N-[(Z)-1-(3,3,5,5-tetramethylcyclohexyl)prop-1-enyl]hepta-3,5-dien-2-imine?
The canonical SMILES for (3E,5Z)-3-but-1-en-2-yl-N-[(Z)-1-(3,3,5,5-tetramethylcyclohexyl)prop-1-enyl]hepta-3,5-dien-2-imine is C=C(CC)C(=C\C=C/C)/C(C)=N/C(=C\C)C1CC(C)(C)CC(C)(C)C1.
What is the InChIKey of (3E,5Z)-3-but-1-en-2-yl-N-[(Z)-1-(3,3,5,5-tetramethylcyclohexyl)prop-1-enyl]hepta-3,5-dien-2-imine?
The InChIKey is NHPVEWUTZCFDBZ-SCJDENRDSA-N. The full InChI is InChI=1S/C24H39N/c1-10-13-14-21(18(4)11-2)19(5)25-22(12-3)20-15-23(6,7)17-24(8,9)16-20/h10,12-14,20H,4,11,15-17H2,1-3,5-9H3/b13-10-,21-14+,22-12-,25-19+.
What are the key properties of (3E,5Z)-3-but-1-en-2-yl-N-[(Z)-1-(3,3,5,5-tetramethylcyclohexyl)prop-1-enyl]hepta-3,5-dien-2-imine?
(3E,5Z)-3-but-1-en-2-yl-N-[(Z)-1-(3,3,5,5-tetramethylcyclohexyl)prop-1-enyl]hepta-3,5-dien-2-imine has a molecular weight of 341.58 g/mol, XLogP of 7.67, 6 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (3E,5Z)-3-but-1-en-2-yl-N-[(Z)-1-(3,3,5,5-tetramethylcyclohexyl)prop-1-enyl]hepta-3,5-dien-2-imine is sourced from PubChem (CID 134286898), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).