1-[(2,5-dimethylphenyl)methyl]-4-ethylcyclohexane-1-carbonitrile

C18H25N — CID 65393065

IUPAC1-[(2,5-dimethylphenyl)methyl]-4-ethylcyclohexane-1-carbonitrile
SMILESCCC1CCC(C#N)(Cc2cc(C)ccc2C)CC1
InChIInChI=1S/C18H25N/c1-4-16-7-9-18(13-19,10-8-16)12-17-11-14(2)5-6-15(17)3/h5-6,11,16H,4,7-10,12H2,1-3H3
InChIKeyMUCXVHCDIDRWLK-UHFFFAOYSA-N
MW255.41 g/mol
LogP4.96
Rot. Bonds3

About 1-[(2,5-dimethylphenyl)methyl]-4-ethylcyclohexane-1-carbonitrile

1-[(2,5-dimethylphenyl)methyl]-4-ethylcyclohexane-1-carbonitrile (PubChem CID 65393065) has the molecular formula C18H25N and a molecular weight of 255.41 g/mol. Its IUPAC name is 1-[(2,5-dimethylphenyl)methyl]-4-ethylcyclohexane-1-carbonitrile.

Molecular Properties

Compound Name1-[(2,5-dimethylphenyl)methyl]-4-ethylcyclohexane-1-carbonitrile
PubChem CID65393065
Molecular FormulaC18H25N
Molecular Weight255.41 g/mol
Exact Mass255.20
IUPAC Name1-[(2,5-dimethylphenyl)methyl]-4-ethylcyclohexane-1-carbonitrile
SMILESCCC1CCC(C#N)(Cc2cc(C)ccc2C)CC1
InChIInChI=1S/C18H25N/c1-4-16-7-9-18(13-19,10-8-16)12-17-11-14(2)5-6-15(17)3/h5-6,11,16H,4,7-10,12H2,1-3H3
InChIKeyMUCXVHCDIDRWLK-UHFFFAOYSA-N
XLogP4.96
TPSA23.79 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500255.41
LogP ≤ 54.96
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

1-[(2,5-dichlorophenyl)methyl]-4-ethylcyclohexane-1-carbonitrile
CID 65393899
1-[(2,4-dichlorophenyl)methyl]-4-ethylcyclohexane-1-carbonitrile
CID 65395763
1-[(2,5-difluorophenyl)methyl]-4-ethylcyclohexane-1-carbonitrile
CID 65392862
1-[(5-bromo-2-methylphenyl)methyl]cyclobutane-1-carbonitrile
CID 116929246
N-(1-cyano-4-ethylcyclohexyl)-2,5-dimethylbenzamide
CID 61118969
1-[(3,5-dimethylphenyl)methyl]-4-propylcyclohexane-1-carbonitrile
CID 65424458
1-[(2-methoxy-5-methylphenyl)methyl]cyclobutane-1-carbonitrile
CID 65376622
1-[(2-bromo-4-fluorophenyl)methyl]-3-ethylcyclopentane-1-carbonitrile
CID 65415116
1-[(3-bromo-4-methoxyphenyl)methyl]-4-ethylcyclohexane-1-carbonitrile
CID 65394935
2-[(1-cyanocyclopropyl)methyl]-4-methylbenzenesulfonic acid
CID 87411063
3-ethyl-1-[(4-fluoro-2-methylphenyl)methyl]cyclohexane-1-carbonitrile
CID 114349722
4-ethyl-1-(1,3-thiazol-4-ylmethyl)cyclohexane-1-carbonitrile
CID 65395145

Frequently Asked Questions

What is the IUPAC name of 1-[(2,5-dimethylphenyl)methyl]-4-ethylcyclohexane-1-carbonitrile?
The IUPAC name of 1-[(2,5-dimethylphenyl)methyl]-4-ethylcyclohexane-1-carbonitrile (CID 65393065) is 1-[(2,5-dimethylphenyl)methyl]-4-ethylcyclohexane-1-carbonitrile.
What is the SMILES notation for 1-[(2,5-dimethylphenyl)methyl]-4-ethylcyclohexane-1-carbonitrile?
The canonical SMILES for 1-[(2,5-dimethylphenyl)methyl]-4-ethylcyclohexane-1-carbonitrile is CCC1CCC(C#N)(Cc2cc(C)ccc2C)CC1.
What is the InChIKey of 1-[(2,5-dimethylphenyl)methyl]-4-ethylcyclohexane-1-carbonitrile?
The InChIKey is MUCXVHCDIDRWLK-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H25N/c1-4-16-7-9-18(13-19,10-8-16)12-17-11-14(2)5-6-15(17)3/h5-6,11,16H,4,7-10,12H2,1-3H3.
What are the key properties of 1-[(2,5-dimethylphenyl)methyl]-4-ethylcyclohexane-1-carbonitrile?
1-[(2,5-dimethylphenyl)methyl]-4-ethylcyclohexane-1-carbonitrile has a molecular weight of 255.41 g/mol, XLogP of 4.96, 3 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(2,5-dimethylphenyl)methyl]-4-ethylcyclohexane-1-carbonitrile is sourced from PubChem (CID 65393065), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).