(Z)-N-[(8Z)-9-(2-methylcyclohexen-1-yl)-3,6-dimethylidenenona-1,8-dien-2-yl]pent-2-en-1-imine

C23H33N — CID 139563409

IUPAC(Z)-N-[(8Z)-9-(2-methylcyclohexen-1-yl)-3,6-dimethylidenenona-1,8-dien-2-yl]pent-2-en-1-imine
SMILESC=C(C/C=C\C1=C(C)CCCC1)CCC(=C)C(=C)/N=C/C=C\CC
InChIInChI=1S/C23H33N/c1-6-7-10-18-24-22(5)20(3)17-16-19(2)12-11-15-23-14-9-8-13-21(23)4/h7,10-11,15,18H,2-3,5-6,8-9,12-14,16-17H2,1,4H3/b10-7-,15-11-,24-18+
InChIKeyAVJZSJRRJMFPJF-RPYKKOCQSA-N
MW323.52 g/mol
LogP7.27
Rot. Bonds10

About (Z)-N-[(8Z)-9-(2-methylcyclohexen-1-yl)-3,6-dimethylidenenona-1,8-dien-2-yl]pent-2-en-1-imine

(Z)-N-[(8Z)-9-(2-methylcyclohexen-1-yl)-3,6-dimethylidenenona-1,8-dien-2-yl]pent-2-en-1-imine (PubChem CID 139563409) has the molecular formula C23H33N and a molecular weight of 323.52 g/mol. Its IUPAC name is (Z)-N-[(8Z)-9-(2-methylcyclohexen-1-yl)-3,6-dimethylidenenona-1,8-dien-2-yl]pent-2-en-1-imine.

Molecular Properties

Compound Name(Z)-N-[(8Z)-9-(2-methylcyclohexen-1-yl)-3,6-dimethylidenenona-1,8-dien-2-yl]pent-2-en-1-imine
PubChem CID139563409
Molecular FormulaC23H33N
Molecular Weight323.52 g/mol
Exact Mass323.26
IUPAC Name(Z)-N-[(8Z)-9-(2-methylcyclohexen-1-yl)-3,6-dimethylidenenona-1,8-dien-2-yl]pent-2-en-1-imine
SMILESC=C(C/C=C\C1=C(C)CCCC1)CCC(=C)C(=C)/N=C/C=C\CC
InChIInChI=1S/C23H33N/c1-6-7-10-18-24-22(5)20(3)17-16-19(2)12-11-15-23-14-9-8-13-21(23)4/h7,10-11,15,18H,2-3,5-6,8-9,12-14,16-17H2,1,4H3/b10-7-,15-11-,24-18+
InChIKeyAVJZSJRRJMFPJF-RPYKKOCQSA-N
XLogP7.27
TPSA12.36 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds10
Heavy Atoms24
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500323.52
LogP ≤ 57.27
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of (Z)-N-[(8Z)-9-(2-methylcyclohexen-1-yl)-3,6-dimethylidenenona-1,8-dien-2-yl]pent-2-en-1-imine?
The IUPAC name of (Z)-N-[(8Z)-9-(2-methylcyclohexen-1-yl)-3,6-dimethylidenenona-1,8-dien-2-yl]pent-2-en-1-imine (CID 139563409) is (Z)-N-[(8Z)-9-(2-methylcyclohexen-1-yl)-3,6-dimethylidenenona-1,8-dien-2-yl]pent-2-en-1-imine.
What is the SMILES notation for (Z)-N-[(8Z)-9-(2-methylcyclohexen-1-yl)-3,6-dimethylidenenona-1,8-dien-2-yl]pent-2-en-1-imine?
The canonical SMILES for (Z)-N-[(8Z)-9-(2-methylcyclohexen-1-yl)-3,6-dimethylidenenona-1,8-dien-2-yl]pent-2-en-1-imine is C=C(C/C=C\C1=C(C)CCCC1)CCC(=C)C(=C)/N=C/C=C\CC.
What is the InChIKey of (Z)-N-[(8Z)-9-(2-methylcyclohexen-1-yl)-3,6-dimethylidenenona-1,8-dien-2-yl]pent-2-en-1-imine?
The InChIKey is AVJZSJRRJMFPJF-RPYKKOCQSA-N. The full InChI is InChI=1S/C23H33N/c1-6-7-10-18-24-22(5)20(3)17-16-19(2)12-11-15-23-14-9-8-13-21(23)4/h7,10-11,15,18H,2-3,5-6,8-9,12-14,16-17H2,1,4H3/b10-7-,15-11-,24-18+.
What are the key properties of (Z)-N-[(8Z)-9-(2-methylcyclohexen-1-yl)-3,6-dimethylidenenona-1,8-dien-2-yl]pent-2-en-1-imine?
(Z)-N-[(8Z)-9-(2-methylcyclohexen-1-yl)-3,6-dimethylidenenona-1,8-dien-2-yl]pent-2-en-1-imine has a molecular weight of 323.52 g/mol, XLogP of 7.27, 10 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (Z)-N-[(8Z)-9-(2-methylcyclohexen-1-yl)-3,6-dimethylidenenona-1,8-dien-2-yl]pent-2-en-1-imine is sourced from PubChem (CID 139563409), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).