methane;N-[4-[(E)-2-[4-(4-methylcyclohexyl)cyclohexyl]ethenyl]cyclohexyl]methanimine;vanadium

C24H45NV — CID 160692518

IUPACmethane;N-[4-[(E)-2-[4-(4-methylcyclohexyl)cyclohexyl]ethenyl]cyclohexyl]methanimine;vanadium
SMILESC.C.C=NC1CCC(/C=C/C2CCC(C3CCC(C)CC3)CC2)CC1.[V]
InChIInChI=1S/C22H37N.2CH4.V/c1-17-3-11-20(12-4-17)21-13-7-18(8-14-21)5-6-19-9-15-22(23-2)16-10-19;;;/h5-6,17-22H,2-4,7-16H2,1H3;2*1H4;/b6-5+;;;
InChIKeyRPOYBNMFKQWJON-FWMLTEASSA-N
MW398.58 g/mol
LogP7.70
Rot. Bonds4

About methane;N-[4-[(E)-2-[4-(4-methylcyclohexyl)cyclohexyl]ethenyl]cyclohexyl]methanimine;vanadium

methane;N-[4-[(E)-2-[4-(4-methylcyclohexyl)cyclohexyl]ethenyl]cyclohexyl]methanimine;vanadium (PubChem CID 160692518) has the molecular formula C24H45NV and a molecular weight of 398.58 g/mol. Its IUPAC name is methane;N-[4-[(E)-2-[4-(4-methylcyclohexyl)cyclohexyl]ethenyl]cyclohexyl]methanimine;vanadium.

Molecular Properties

Compound Namemethane;N-[4-[(E)-2-[4-(4-methylcyclohexyl)cyclohexyl]ethenyl]cyclohexyl]methanimine;vanadium
PubChem CID160692518
Molecular FormulaC24H45NV
Molecular Weight398.58 g/mol
Exact Mass398.30
IUPAC Namemethane;N-[4-[(E)-2-[4-(4-methylcyclohexyl)cyclohexyl]ethenyl]cyclohexyl]methanimine;vanadium
SMILESC.C.C=NC1CCC(/C=C/C2CCC(C3CCC(C)CC3)CC2)CC1.[V]
InChIInChI=1S/C22H37N.2CH4.V/c1-17-3-11-20(12-4-17)21-13-7-18(8-14-21)5-6-19-9-15-22(23-2)16-10-19;;;/h5-6,17-22H,2-4,7-16H2,1H3;2*1H4;/b6-5+;;;
InChIKeyRPOYBNMFKQWJON-FWMLTEASSA-N
XLogP7.70
TPSA12.36 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500398.58
LogP ≤ 57.70
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'}

Analyze methane;N-[4-[(E)-2-[4-(4-methylcyclohexyl)cyclohexyl]ethenyl]cyclohexyl]methanimine;vanadium with MolForge

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Related Compounds

1,3-Difluoro-2-isothiocyanato-5-[2-[4-(4-methylcyclohexyl)cyclohexyl]ethenyl]cyclohexane
CID 89033420
1,3-Difluoro-2-isothiocyanato-5-[4-[2-(4-methylcyclohexyl)ethenyl]cyclohexyl]cyclohexane
CID 89201354
2-Fluoro-1-isothiocyanato-4-[4-[2-(4-methylcyclohexyl)ethenyl]cyclohexyl]cyclohexane
CID 89201356
2-Fluoro-1-isothiocyanato-4-[2-[4-(4-methylcyclohexyl)cyclohexyl]ethenyl]cyclohexane
CID 89201378
N-[4-[(E)-2-[4-(4-methylcyclohexyl)cyclohexyl]ethenyl]cyclohexyl]methanimine
CID 59916878
1-Isothiocyanato-4-[4-[2-(4-methylcyclohexyl)ethenyl]cyclohexyl]cyclohexane
CID 89201346
N-[4-[2-(4-prop-1-en-2-ylcyclohexyl)ethenyl]cyclohexyl]methanimine
CID 91451462
N,N-dimethyl-4-[4-[(E)-2-(4-pentylcyclohexyl)ethenyl]cyclohexyl]cyclohexan-1-amine
CID 142281836
4-[4-[(E)-2-(4-pentylcyclohexyl)ethenyl]cyclohexyl]cyclohexan-1-amine
CID 142281876
4-[(E)-2-[4-(4-pentylcyclohexyl)cyclohexyl]ethenyl]cyclohexan-1-amine
CID 142282068
N,N-dimethyl-4-[(E)-2-[4-(4-pentylcyclohexyl)cyclohexyl]ethenyl]cyclohexan-1-amine
CID 142282765

Frequently Asked Questions

What is the IUPAC name of methane;N-[4-[(E)-2-[4-(4-methylcyclohexyl)cyclohexyl]ethenyl]cyclohexyl]methanimine;vanadium?
The IUPAC name of methane;N-[4-[(E)-2-[4-(4-methylcyclohexyl)cyclohexyl]ethenyl]cyclohexyl]methanimine;vanadium (CID 160692518) is methane;N-[4-[(E)-2-[4-(4-methylcyclohexyl)cyclohexyl]ethenyl]cyclohexyl]methanimine;vanadium.
What is the SMILES notation for methane;N-[4-[(E)-2-[4-(4-methylcyclohexyl)cyclohexyl]ethenyl]cyclohexyl]methanimine;vanadium?
The canonical SMILES for methane;N-[4-[(E)-2-[4-(4-methylcyclohexyl)cyclohexyl]ethenyl]cyclohexyl]methanimine;vanadium is C.C.C=NC1CCC(/C=C/C2CCC(C3CCC(C)CC3)CC2)CC1.[V].
What is the InChIKey of methane;N-[4-[(E)-2-[4-(4-methylcyclohexyl)cyclohexyl]ethenyl]cyclohexyl]methanimine;vanadium?
The InChIKey is RPOYBNMFKQWJON-FWMLTEASSA-N. The full InChI is InChI=1S/C22H37N.2CH4.V/c1-17-3-11-20(12-4-17)21-13-7-18(8-14-21)5-6-19-9-15-22(23-2)16-10-19;;;/h5-6,17-22H,2-4,7-16H2,1H3;2*1H4;/b6-5+;;;.
What are the key properties of methane;N-[4-[(E)-2-[4-(4-methylcyclohexyl)cyclohexyl]ethenyl]cyclohexyl]methanimine;vanadium?
methane;N-[4-[(E)-2-[4-(4-methylcyclohexyl)cyclohexyl]ethenyl]cyclohexyl]methanimine;vanadium has a molecular weight of 398.58 g/mol, XLogP of 7.70, 4 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for methane;N-[4-[(E)-2-[4-(4-methylcyclohexyl)cyclohexyl]ethenyl]cyclohexyl]methanimine;vanadium is sourced from PubChem (CID 160692518), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).