(2Z,4Z)-8-ethyl-N,4,8-trimethyl-6-[2-(4-methylcyclohexyl)prop-2-enylidene]cyclonona-2,4-dien-1-imine

C24H37N — CID 138749981

IUPAC(2Z,4Z)-8-ethyl-N,4,8-trimethyl-6-[2-(4-methylcyclohexyl)prop-2-enylidene]cyclonona-2,4-dien-1-imine
SMILESC=C(C=C1/C=C(C)\C=C/C(=N/C)CC(C)(CC)C1)C1CCC(C)CC1
InChIInChI=1S/C24H37N/c1-7-24(5)16-21(14-19(3)10-13-23(17-24)25-6)15-20(4)22-11-8-18(2)9-12-22/h10,13-15,18,22H,4,7-9,11-12,16-17H2,1-3,5-6H3/b13-10-,19-14-,21-15?,25-23-
InChIKeyQKCUHTSUFPDHRZ-ZCJXIHBXSA-N
MW339.57 g/mol
LogP7.08
Rot. Bonds3

About (2Z,4Z)-8-ethyl-N,4,8-trimethyl-6-[2-(4-methylcyclohexyl)prop-2-enylidene]cyclonona-2,4-dien-1-imine

(2Z,4Z)-8-ethyl-N,4,8-trimethyl-6-[2-(4-methylcyclohexyl)prop-2-enylidene]cyclonona-2,4-dien-1-imine (PubChem CID 138749981) has the molecular formula C24H37N and a molecular weight of 339.57 g/mol. Its IUPAC name is (2Z,4Z)-8-ethyl-N,4,8-trimethyl-6-[2-(4-methylcyclohexyl)prop-2-enylidene]cyclonona-2,4-dien-1-imine.

Molecular Properties

Compound Name(2Z,4Z)-8-ethyl-N,4,8-trimethyl-6-[2-(4-methylcyclohexyl)prop-2-enylidene]cyclonona-2,4-dien-1-imine
PubChem CID138749981
Molecular FormulaC24H37N
Molecular Weight339.57 g/mol
Exact Mass339.29
IUPAC Name(2Z,4Z)-8-ethyl-N,4,8-trimethyl-6-[2-(4-methylcyclohexyl)prop-2-enylidene]cyclonona-2,4-dien-1-imine
SMILESC=C(C=C1/C=C(C)\C=C/C(=N/C)CC(C)(CC)C1)C1CCC(C)CC1
InChIInChI=1S/C24H37N/c1-7-24(5)16-21(14-19(3)10-13-23(17-24)25-6)15-20(4)22-11-8-18(2)9-12-22/h10,13-15,18,22H,4,7-9,11-12,16-17H2,1-3,5-6H3/b13-10-,19-14-,21-15?,25-23-
InChIKeyQKCUHTSUFPDHRZ-ZCJXIHBXSA-N
XLogP7.08
TPSA12.36 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500339.57
LogP ≤ 57.08
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of (2Z,4Z)-8-ethyl-N,4,8-trimethyl-6-[2-(4-methylcyclohexyl)prop-2-enylidene]cyclonona-2,4-dien-1-imine?
The IUPAC name of (2Z,4Z)-8-ethyl-N,4,8-trimethyl-6-[2-(4-methylcyclohexyl)prop-2-enylidene]cyclonona-2,4-dien-1-imine (CID 138749981) is (2Z,4Z)-8-ethyl-N,4,8-trimethyl-6-[2-(4-methylcyclohexyl)prop-2-enylidene]cyclonona-2,4-dien-1-imine.
What is the SMILES notation for (2Z,4Z)-8-ethyl-N,4,8-trimethyl-6-[2-(4-methylcyclohexyl)prop-2-enylidene]cyclonona-2,4-dien-1-imine?
The canonical SMILES for (2Z,4Z)-8-ethyl-N,4,8-trimethyl-6-[2-(4-methylcyclohexyl)prop-2-enylidene]cyclonona-2,4-dien-1-imine is C=C(C=C1/C=C(C)\C=C/C(=N/C)CC(C)(CC)C1)C1CCC(C)CC1.
What is the InChIKey of (2Z,4Z)-8-ethyl-N,4,8-trimethyl-6-[2-(4-methylcyclohexyl)prop-2-enylidene]cyclonona-2,4-dien-1-imine?
The InChIKey is QKCUHTSUFPDHRZ-ZCJXIHBXSA-N. The full InChI is InChI=1S/C24H37N/c1-7-24(5)16-21(14-19(3)10-13-23(17-24)25-6)15-20(4)22-11-8-18(2)9-12-22/h10,13-15,18,22H,4,7-9,11-12,16-17H2,1-3,5-6H3/b13-10-,19-14-,21-15?,25-23-.
What are the key properties of (2Z,4Z)-8-ethyl-N,4,8-trimethyl-6-[2-(4-methylcyclohexyl)prop-2-enylidene]cyclonona-2,4-dien-1-imine?
(2Z,4Z)-8-ethyl-N,4,8-trimethyl-6-[2-(4-methylcyclohexyl)prop-2-enylidene]cyclonona-2,4-dien-1-imine has a molecular weight of 339.57 g/mol, XLogP of 7.08, 3 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (2Z,4Z)-8-ethyl-N,4,8-trimethyl-6-[2-(4-methylcyclohexyl)prop-2-enylidene]cyclonona-2,4-dien-1-imine is sourced from PubChem (CID 138749981), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).