2-methyl-6-[(3,3,5,5-tetramethylcyclohexyl)amino]benzonitrile

C18H26N2 — CID 107803202

IUPAC2-methyl-6-[(3,3,5,5-tetramethylcyclohexyl)amino]benzonitrile
SMILESCc1cccc(NC2CC(C)(C)CC(C)(C)C2)c1C#N
InChIInChI=1S/C18H26N2/c1-13-7-6-8-16(15(13)11-19)20-14-9-17(2,3)12-18(4,5)10-14/h6-8,14,20H,9-10,12H2,1-5H3
InChIKeyWNVQPBIXWYXMSI-UHFFFAOYSA-N
MW270.42 g/mol
LogP4.88
Rot. Bonds2

About 2-methyl-6-[(3,3,5,5-tetramethylcyclohexyl)amino]benzonitrile

2-methyl-6-[(3,3,5,5-tetramethylcyclohexyl)amino]benzonitrile (PubChem CID 107803202) has the molecular formula C18H26N2 and a molecular weight of 270.42 g/mol. Its IUPAC name is 2-methyl-6-[(3,3,5,5-tetramethylcyclohexyl)amino]benzonitrile.

Molecular Properties

Compound Name2-methyl-6-[(3,3,5,5-tetramethylcyclohexyl)amino]benzonitrile
PubChem CID107803202
Molecular FormulaC18H26N2
Molecular Weight270.42 g/mol
Exact Mass270.21
IUPAC Name2-methyl-6-[(3,3,5,5-tetramethylcyclohexyl)amino]benzonitrile
SMILESCc1cccc(NC2CC(C)(C)CC(C)(C)C2)c1C#N
InChIInChI=1S/C18H26N2/c1-13-7-6-8-16(15(13)11-19)20-14-9-17(2,3)12-18(4,5)10-14/h6-8,14,20H,9-10,12H2,1-5H3
InChIKeyWNVQPBIXWYXMSI-UHFFFAOYSA-N
XLogP4.88
TPSA35.82 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500270.42
LogP ≤ 54.88
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2-methyl-6-(thian-4-ylamino)benzonitrile
CID 107803426
2-methyl-6-[[3-(2-methylphenyl)cyclobutyl]amino]benzonitrile
CID 107803329
2-(1,4-dioxaspiro[4.5]decan-8-ylamino)-6-methylbenzonitrile
CID 107803622
2-[(3,3-dimethylcyclopentyl)amino]-6-fluorobenzonitrile
CID 80693483
2-[(3,3-dimethylcyclopentyl)amino]-6-ethylsulfanylbenzonitrile
CID 114546570
2-[[3-(2-chlorophenyl)cyclobutyl]amino]-6-methylbenzonitrile
CID 107803326
2-[(3-methoxycyclohexyl)amino]-6-methylbenzonitrile
CID 114002933
2-[[(1R,2R)-2-hydroxycyclohexyl]amino]-6-methylbenzonitrile
CID 107804318
5-amino-2-[(3,3,5,5-tetramethylcyclohexyl)amino]benzonitrile
CID 103965284
2-[[3-(2-cyano-3-methylanilino)-2-methyl-1-adamantyl]amino]-6-methylbenzonitrile
CID 10787730
2-methyl-6-[[2-(trifluoromethyl)cyclohexyl]amino]benzonitrile
CID 107803664
N-(2-cyano-3-methylphenyl)-2-(cyclopropylamino)acetamide
CID 107805022

Frequently Asked Questions

What is the IUPAC name of 2-methyl-6-[(3,3,5,5-tetramethylcyclohexyl)amino]benzonitrile?
The IUPAC name of 2-methyl-6-[(3,3,5,5-tetramethylcyclohexyl)amino]benzonitrile (CID 107803202) is 2-methyl-6-[(3,3,5,5-tetramethylcyclohexyl)amino]benzonitrile.
What is the SMILES notation for 2-methyl-6-[(3,3,5,5-tetramethylcyclohexyl)amino]benzonitrile?
The canonical SMILES for 2-methyl-6-[(3,3,5,5-tetramethylcyclohexyl)amino]benzonitrile is Cc1cccc(NC2CC(C)(C)CC(C)(C)C2)c1C#N.
What is the InChIKey of 2-methyl-6-[(3,3,5,5-tetramethylcyclohexyl)amino]benzonitrile?
The InChIKey is WNVQPBIXWYXMSI-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H26N2/c1-13-7-6-8-16(15(13)11-19)20-14-9-17(2,3)12-18(4,5)10-14/h6-8,14,20H,9-10,12H2,1-5H3.
What are the key properties of 2-methyl-6-[(3,3,5,5-tetramethylcyclohexyl)amino]benzonitrile?
2-methyl-6-[(3,3,5,5-tetramethylcyclohexyl)amino]benzonitrile has a molecular weight of 270.42 g/mol, XLogP of 4.88, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-6-[(3,3,5,5-tetramethylcyclohexyl)amino]benzonitrile is sourced from PubChem (CID 107803202), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).