2-(cyclohexylamino)-2-(3,4-dimethylphenyl)acetonitrile

C16H22N2 — CID 54894335

IUPAC2-(cyclohexylamino)-2-(3,4-dimethylphenyl)acetonitrile
SMILESCc1ccc(C(C#N)NC2CCCCC2)cc1C
InChIInChI=1S/C16H22N2/c1-12-8-9-14(10-13(12)2)16(11-17)18-15-6-4-3-5-7-15/h8-10,15-16,18H,3-7H2,1-2H3
InChIKeyTWLHLJHTKOQTFQ-UHFFFAOYSA-N
MW242.37 g/mol
LogP3.79
Rot. Bonds3

About 2-(cyclohexylamino)-2-(3,4-dimethylphenyl)acetonitrile

2-(cyclohexylamino)-2-(3,4-dimethylphenyl)acetonitrile (PubChem CID 54894335) has the molecular formula C16H22N2 and a molecular weight of 242.37 g/mol. Its IUPAC name is 2-(cyclohexylamino)-2-(3,4-dimethylphenyl)acetonitrile.

Molecular Properties

Compound Name2-(cyclohexylamino)-2-(3,4-dimethylphenyl)acetonitrile
PubChem CID54894335
Molecular FormulaC16H22N2
Molecular Weight242.37 g/mol
Exact Mass242.18
IUPAC Name2-(cyclohexylamino)-2-(3,4-dimethylphenyl)acetonitrile
SMILESCc1ccc(C(C#N)NC2CCCCC2)cc1C
InChIInChI=1S/C16H22N2/c1-12-8-9-14(10-13(12)2)16(11-17)18-15-6-4-3-5-7-15/h8-10,15-16,18H,3-7H2,1-2H3
InChIKeyTWLHLJHTKOQTFQ-UHFFFAOYSA-N
XLogP3.79
TPSA35.82 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500242.37
LogP ≤ 53.79
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2-(cyclopropylamino)-2-(3,4-dimethylphenyl)acetonitrile
CID 43753552
2-(cyclohexylamino)-2-(4-methoxy-3-methylphenyl)acetonitrile
CID 62132442
2-(cyclopentylamino)-2-(4-fluoro-3-methylphenyl)acetonitrile
CID 62119933
2-(cyclohexylamino)-2-(3-fluoro-4-methoxyphenyl)acetonitrile
CID 65096727
2-(cycloheptylamino)-2-(3-fluoro-4-methoxyphenyl)acetonitrile
CID 65096774
2-(cyclopentylamino)-2-(3,4-dichlorophenyl)acetonitrile
CID 54894364
2-(cyclopentylamino)-2-(3-fluoro-4-methoxyphenyl)acetonitrile
CID 65096678
2-(1,3-benzodioxol-5-yl)-2-(cycloheptylamino)acetonitrile
CID 62670899
2-(cyclohexylamino)-2-(2,4,6-trimethylphenyl)acetonitrile
CID 54894375
2-(1,3-benzodioxol-5-yl)-2-(cyclopentylamino)acetonitrile
CID 62670734
2-(cyclohexylamino)-2-(3-cyclopropylphenyl)acetonitrile
CID 79984503
2-(cycloheptylamino)-2-(3,4-dimethylphenyl)ethanol
CID 61055162

Frequently Asked Questions

What is the IUPAC name of 2-(cyclohexylamino)-2-(3,4-dimethylphenyl)acetonitrile?
The IUPAC name of 2-(cyclohexylamino)-2-(3,4-dimethylphenyl)acetonitrile (CID 54894335) is 2-(cyclohexylamino)-2-(3,4-dimethylphenyl)acetonitrile.
What is the SMILES notation for 2-(cyclohexylamino)-2-(3,4-dimethylphenyl)acetonitrile?
The canonical SMILES for 2-(cyclohexylamino)-2-(3,4-dimethylphenyl)acetonitrile is Cc1ccc(C(C#N)NC2CCCCC2)cc1C.
What is the InChIKey of 2-(cyclohexylamino)-2-(3,4-dimethylphenyl)acetonitrile?
The InChIKey is TWLHLJHTKOQTFQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H22N2/c1-12-8-9-14(10-13(12)2)16(11-17)18-15-6-4-3-5-7-15/h8-10,15-16,18H,3-7H2,1-2H3.
What are the key properties of 2-(cyclohexylamino)-2-(3,4-dimethylphenyl)acetonitrile?
2-(cyclohexylamino)-2-(3,4-dimethylphenyl)acetonitrile has a molecular weight of 242.37 g/mol, XLogP of 3.79, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(cyclohexylamino)-2-(3,4-dimethylphenyl)acetonitrile is sourced from PubChem (CID 54894335), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).