(3Z,4Z)-3-butan-2-ylidene-N-[(Z)-1-(3,3,5,5-tetramethylcyclohexyl)prop-1-enyl]hepta-4,6-dien-2-imine

C24H39N — CID 134286916

IUPAC(3Z,4Z)-3-butan-2-ylidene-N-[(Z)-1-(3,3,5,5-tetramethylcyclohexyl)prop-1-enyl]hepta-4,6-dien-2-imine
SMILESC=C/C=C\C(=C(/C)CC)\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,1,11,15-17H2,2-9H3/b14-13-,21-18-,22-12-,25-19+
InChIKeyKXPXMHMRQBEFFW-RIVHYXCASA-N
MW341.58 g/mol
LogP7.67
Rot. Bonds6

About (3Z,4Z)-3-butan-2-ylidene-N-[(Z)-1-(3,3,5,5-tetramethylcyclohexyl)prop-1-enyl]hepta-4,6-dien-2-imine

(3Z,4Z)-3-butan-2-ylidene-N-[(Z)-1-(3,3,5,5-tetramethylcyclohexyl)prop-1-enyl]hepta-4,6-dien-2-imine (PubChem CID 134286916) has the molecular formula C24H39N and a molecular weight of 341.58 g/mol. Its IUPAC name is (3Z,4Z)-3-butan-2-ylidene-N-[(Z)-1-(3,3,5,5-tetramethylcyclohexyl)prop-1-enyl]hepta-4,6-dien-2-imine.

Molecular Properties

Compound Name(3Z,4Z)-3-butan-2-ylidene-N-[(Z)-1-(3,3,5,5-tetramethylcyclohexyl)prop-1-enyl]hepta-4,6-dien-2-imine
PubChem CID134286916
Molecular FormulaC24H39N
Molecular Weight341.58 g/mol
Exact Mass341.31
IUPAC Name(3Z,4Z)-3-butan-2-ylidene-N-[(Z)-1-(3,3,5,5-tetramethylcyclohexyl)prop-1-enyl]hepta-4,6-dien-2-imine
SMILESC=C/C=C\C(=C(/C)CC)\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,1,11,15-17H2,2-9H3/b14-13-,21-18-,22-12-,25-19+
InChIKeyKXPXMHMRQBEFFW-RIVHYXCASA-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 (3Z,4Z)-3-butan-2-ylidene-N-[(Z)-1-(3,3,5,5-tetramethylcyclohexyl)prop-1-enyl]hepta-4,6-dien-2-imine with MolForge

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Frequently Asked Questions

What is the IUPAC name of (3Z,4Z)-3-butan-2-ylidene-N-[(Z)-1-(3,3,5,5-tetramethylcyclohexyl)prop-1-enyl]hepta-4,6-dien-2-imine?
The IUPAC name of (3Z,4Z)-3-butan-2-ylidene-N-[(Z)-1-(3,3,5,5-tetramethylcyclohexyl)prop-1-enyl]hepta-4,6-dien-2-imine (CID 134286916) is (3Z,4Z)-3-butan-2-ylidene-N-[(Z)-1-(3,3,5,5-tetramethylcyclohexyl)prop-1-enyl]hepta-4,6-dien-2-imine.
What is the SMILES notation for (3Z,4Z)-3-butan-2-ylidene-N-[(Z)-1-(3,3,5,5-tetramethylcyclohexyl)prop-1-enyl]hepta-4,6-dien-2-imine?
The canonical SMILES for (3Z,4Z)-3-butan-2-ylidene-N-[(Z)-1-(3,3,5,5-tetramethylcyclohexyl)prop-1-enyl]hepta-4,6-dien-2-imine is C=C/C=C\C(=C(/C)CC)\C(C)=N\C(=C/C)C1CC(C)(C)CC(C)(C)C1.
What is the InChIKey of (3Z,4Z)-3-butan-2-ylidene-N-[(Z)-1-(3,3,5,5-tetramethylcyclohexyl)prop-1-enyl]hepta-4,6-dien-2-imine?
The InChIKey is KXPXMHMRQBEFFW-RIVHYXCASA-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,1,11,15-17H2,2-9H3/b14-13-,21-18-,22-12-,25-19+.
What are the key properties of (3Z,4Z)-3-butan-2-ylidene-N-[(Z)-1-(3,3,5,5-tetramethylcyclohexyl)prop-1-enyl]hepta-4,6-dien-2-imine?
(3Z,4Z)-3-butan-2-ylidene-N-[(Z)-1-(3,3,5,5-tetramethylcyclohexyl)prop-1-enyl]hepta-4,6-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 (3Z,4Z)-3-butan-2-ylidene-N-[(Z)-1-(3,3,5,5-tetramethylcyclohexyl)prop-1-enyl]hepta-4,6-dien-2-imine is sourced from PubChem (CID 134286916), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).