2,6-dimethyl-4-[(4-methylcyclohexyl)methyl]benzonitrile;vanadium

C17H23NV — CID 159912405

IUPAC2,6-dimethyl-4-[(4-methylcyclohexyl)methyl]benzonitrile;vanadium
SMILESCc1cc(CC2CCC(C)CC2)cc(C)c1C#N.[V]
InChIInChI=1S/C17H23N.V/c1-12-4-6-15(7-5-12)10-16-8-13(2)17(11-18)14(3)9-16;/h8-9,12,15H,4-7,10H2,1-3H3;
InChIKeyNXIQTICRGSVAKI-UHFFFAOYSA-N
MW292.32 g/mol
LogP4.54
Rot. Bonds2

About 2,6-dimethyl-4-[(4-methylcyclohexyl)methyl]benzonitrile;vanadium

2,6-dimethyl-4-[(4-methylcyclohexyl)methyl]benzonitrile;vanadium (PubChem CID 159912405) has the molecular formula C17H23NV and a molecular weight of 292.32 g/mol. Its IUPAC name is 2,6-dimethyl-4-[(4-methylcyclohexyl)methyl]benzonitrile;vanadium.

Molecular Properties

Compound Name2,6-dimethyl-4-[(4-methylcyclohexyl)methyl]benzonitrile;vanadium
PubChem CID159912405
Molecular FormulaC17H23NV
Molecular Weight292.32 g/mol
Exact Mass292.13
IUPAC Name2,6-dimethyl-4-[(4-methylcyclohexyl)methyl]benzonitrile;vanadium
SMILESCc1cc(CC2CCC(C)CC2)cc(C)c1C#N.[V]
InChIInChI=1S/C17H23N.V/c1-12-4-6-15(7-5-12)10-16-8-13(2)17(11-18)14(3)9-16;/h8-9,12,15H,4-7,10H2,1-3H3;
InChIKeyNXIQTICRGSVAKI-UHFFFAOYSA-N
XLogP4.54
TPSA23.79 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.32
LogP ≤ 54.54
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

4-Isopropylbenzonitrile
CID 26289
3,4-Dimethylbenzonitrile
CID 89884
(1,1'-Biphenyl)-4-carbonitrile, 4'-hexyl-
CID 38764
Benzene, 1,2-dimethyl-4-(1-phenylethyl)-
CID 22570
(1,1'-Biphenyl)-2-carbonitrile
CID 141162
2-Naphthalenecarbonitrile
CID 11944
1,1-Bis(3,4-dimethylphenyl)ethane
CID 74448
4'-Octyl-4-cyanobiphenyl
CID 104289
2-Cyano-4'-methylbiphenyl
CID 145512
6-tert-Butyl-2,3-naphthalenedicarbonitrile
CID 613000
(1,1'-Biphenyl)-4-carbonitrile
CID 18021
4-(4-Propylcyclohexyl)benzonitrile
CID 109061

Frequently Asked Questions

What is the IUPAC name of 2,6-dimethyl-4-[(4-methylcyclohexyl)methyl]benzonitrile;vanadium?
The IUPAC name of 2,6-dimethyl-4-[(4-methylcyclohexyl)methyl]benzonitrile;vanadium (CID 159912405) is 2,6-dimethyl-4-[(4-methylcyclohexyl)methyl]benzonitrile;vanadium.
What is the SMILES notation for 2,6-dimethyl-4-[(4-methylcyclohexyl)methyl]benzonitrile;vanadium?
The canonical SMILES for 2,6-dimethyl-4-[(4-methylcyclohexyl)methyl]benzonitrile;vanadium is Cc1cc(CC2CCC(C)CC2)cc(C)c1C#N.[V].
What is the InChIKey of 2,6-dimethyl-4-[(4-methylcyclohexyl)methyl]benzonitrile;vanadium?
The InChIKey is NXIQTICRGSVAKI-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H23N.V/c1-12-4-6-15(7-5-12)10-16-8-13(2)17(11-18)14(3)9-16;/h8-9,12,15H,4-7,10H2,1-3H3;.
What are the key properties of 2,6-dimethyl-4-[(4-methylcyclohexyl)methyl]benzonitrile;vanadium?
2,6-dimethyl-4-[(4-methylcyclohexyl)methyl]benzonitrile;vanadium has a molecular weight of 292.32 g/mol, XLogP of 4.54, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2,6-dimethyl-4-[(4-methylcyclohexyl)methyl]benzonitrile;vanadium is sourced from PubChem (CID 159912405), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).