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

C23H37NO — CID 134286911

IUPAC(3Z,4Z)-3-(1-methoxyethylidene)-N-[(Z)-1-(3,3,5,5-tetramethylcyclohexyl)prop-1-enyl]hepta-4,6-dien-2-imine
SMILESC=C/C=C\C(=C(/C)OC)\C(C)=N\C(=C/C)C1CC(C)(C)CC(C)(C)C1
InChIInChI=1S/C23H37NO/c1-10-12-13-20(18(4)25-9)17(3)24-21(11-2)19-14-22(5,6)16-23(7,8)15-19/h10-13,19H,1,14-16H2,2-9H3/b13-12-,20-18-,21-11-,24-17+
InChIKeyVDSVOKCLZQMRHV-ZPMHPQAQSA-N
MW343.56 g/mol
LogP6.87
Rot. Bonds6

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

(3Z,4Z)-3-(1-methoxyethylidene)-N-[(Z)-1-(3,3,5,5-tetramethylcyclohexyl)prop-1-enyl]hepta-4,6-dien-2-imine (PubChem CID 134286911) has the molecular formula C23H37NO and a molecular weight of 343.56 g/mol. Its IUPAC name is (3Z,4Z)-3-(1-methoxyethylidene)-N-[(Z)-1-(3,3,5,5-tetramethylcyclohexyl)prop-1-enyl]hepta-4,6-dien-2-imine.

Molecular Properties

Compound Name(3Z,4Z)-3-(1-methoxyethylidene)-N-[(Z)-1-(3,3,5,5-tetramethylcyclohexyl)prop-1-enyl]hepta-4,6-dien-2-imine
PubChem CID134286911
Molecular FormulaC23H37NO
Molecular Weight343.56 g/mol
Exact Mass343.29
IUPAC Name(3Z,4Z)-3-(1-methoxyethylidene)-N-[(Z)-1-(3,3,5,5-tetramethylcyclohexyl)prop-1-enyl]hepta-4,6-dien-2-imine
SMILESC=C/C=C\C(=C(/C)OC)\C(C)=N\C(=C/C)C1CC(C)(C)CC(C)(C)C1
InChIInChI=1S/C23H37NO/c1-10-12-13-20(18(4)25-9)17(3)24-21(11-2)19-14-22(5,6)16-23(7,8)15-19/h10-13,19H,1,14-16H2,2-9H3/b13-12-,20-18-,21-11-,24-17+
InChIKeyVDSVOKCLZQMRHV-ZPMHPQAQSA-N
XLogP6.87
TPSA21.59 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500343.56
LogP ≤ 56.87
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'acyclic_C=C-O', 'substructure': 'N/A'}, {'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'polyene', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of (3Z,4Z)-3-(1-methoxyethylidene)-N-[(Z)-1-(3,3,5,5-tetramethylcyclohexyl)prop-1-enyl]hepta-4,6-dien-2-imine?
The IUPAC name of (3Z,4Z)-3-(1-methoxyethylidene)-N-[(Z)-1-(3,3,5,5-tetramethylcyclohexyl)prop-1-enyl]hepta-4,6-dien-2-imine (CID 134286911) is (3Z,4Z)-3-(1-methoxyethylidene)-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-(1-methoxyethylidene)-N-[(Z)-1-(3,3,5,5-tetramethylcyclohexyl)prop-1-enyl]hepta-4,6-dien-2-imine?
The canonical SMILES for (3Z,4Z)-3-(1-methoxyethylidene)-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)OC)\C(C)=N\C(=C/C)C1CC(C)(C)CC(C)(C)C1.
What is the InChIKey of (3Z,4Z)-3-(1-methoxyethylidene)-N-[(Z)-1-(3,3,5,5-tetramethylcyclohexyl)prop-1-enyl]hepta-4,6-dien-2-imine?
The InChIKey is VDSVOKCLZQMRHV-ZPMHPQAQSA-N. The full InChI is InChI=1S/C23H37NO/c1-10-12-13-20(18(4)25-9)17(3)24-21(11-2)19-14-22(5,6)16-23(7,8)15-19/h10-13,19H,1,14-16H2,2-9H3/b13-12-,20-18-,21-11-,24-17+.
What are the key properties of (3Z,4Z)-3-(1-methoxyethylidene)-N-[(Z)-1-(3,3,5,5-tetramethylcyclohexyl)prop-1-enyl]hepta-4,6-dien-2-imine?
(3Z,4Z)-3-(1-methoxyethylidene)-N-[(Z)-1-(3,3,5,5-tetramethylcyclohexyl)prop-1-enyl]hepta-4,6-dien-2-imine has a molecular weight of 343.56 g/mol, XLogP of 6.87, 6 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (3Z,4Z)-3-(1-methoxyethylidene)-N-[(Z)-1-(3,3,5,5-tetramethylcyclohexyl)prop-1-enyl]hepta-4,6-dien-2-imine is sourced from PubChem (CID 134286911), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).