2-(cyclohexylamino)-2-(2,4,6-trimethylphenyl)acetonitrile

C17H24N2 — CID 54894375

IUPAC2-(cyclohexylamino)-2-(2,4,6-trimethylphenyl)acetonitrile
SMILESCc1cc(C)c(C(C#N)NC2CCCCC2)c(C)c1
InChIInChI=1S/C17H24N2/c1-12-9-13(2)17(14(3)10-12)16(11-18)19-15-7-5-4-6-8-15/h9-10,15-16,19H,4-8H2,1-3H3
InChIKeyXJTUIXMEIDTZOA-UHFFFAOYSA-N
MW256.39 g/mol
LogP4.10
Rot. Bonds3

About 2-(cyclohexylamino)-2-(2,4,6-trimethylphenyl)acetonitrile

2-(cyclohexylamino)-2-(2,4,6-trimethylphenyl)acetonitrile (PubChem CID 54894375) has the molecular formula C17H24N2 and a molecular weight of 256.39 g/mol. Its IUPAC name is 2-(cyclohexylamino)-2-(2,4,6-trimethylphenyl)acetonitrile.

Molecular Properties

Compound Name2-(cyclohexylamino)-2-(2,4,6-trimethylphenyl)acetonitrile
PubChem CID54894375
Molecular FormulaC17H24N2
Molecular Weight256.39 g/mol
Exact Mass256.19
IUPAC Name2-(cyclohexylamino)-2-(2,4,6-trimethylphenyl)acetonitrile
SMILESCc1cc(C)c(C(C#N)NC2CCCCC2)c(C)c1
InChIInChI=1S/C17H24N2/c1-12-9-13(2)17(14(3)10-12)16(11-18)19-15-7-5-4-6-8-15/h9-10,15-16,19H,4-8H2,1-3H3
InChIKeyXJTUIXMEIDTZOA-UHFFFAOYSA-N
XLogP4.10
TPSA35.82 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500256.39
LogP ≤ 54.10
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2-(cyclohexylamino)-2-(3,4-dimethylphenyl)acetonitrile
CID 54894335
2-(cyclohexylamino)-2-(2,4,6-trimethylphenyl)acetic acid
CID 60997589
2-(cyclopentylamino)-2-(2-methylphenyl)acetonitrile
CID 61002347
2-(cyclopentylamino)-2-(4-fluoro-3-methylphenyl)acetonitrile
CID 62119933
2-(cyclohexylamino)-2-(4-methoxy-3-methylphenyl)acetonitrile
CID 62132442
2-(cyclopentylamino)-2-(2-fluoro-5-methylphenyl)acetonitrile
CID 114054084
2-(cycloheptylamino)-2-(5-methylthiophen-2-yl)acetonitrile
CID 61345592
2-(cycloheptylamino)-2-(3,4,5-trifluorophenyl)acetonitrile
CID 63078021
N-(2,4,6-trimethylphenyl)cycloheptanamine
CID 63448201
2-(cycloheptylamino)-2-(1,5-dimethylpyrazol-4-yl)acetonitrile
CID 79584630
2-(cyclopentylamino)-2-(2,4,5-trifluorophenyl)acetonitrile
CID 114058035
2-(cyclopropylamino)-2-(3,4-dimethylphenyl)acetonitrile
CID 43753552

Frequently Asked Questions

What is the IUPAC name of 2-(cyclohexylamino)-2-(2,4,6-trimethylphenyl)acetonitrile?
The IUPAC name of 2-(cyclohexylamino)-2-(2,4,6-trimethylphenyl)acetonitrile (CID 54894375) is 2-(cyclohexylamino)-2-(2,4,6-trimethylphenyl)acetonitrile.
What is the SMILES notation for 2-(cyclohexylamino)-2-(2,4,6-trimethylphenyl)acetonitrile?
The canonical SMILES for 2-(cyclohexylamino)-2-(2,4,6-trimethylphenyl)acetonitrile is Cc1cc(C)c(C(C#N)NC2CCCCC2)c(C)c1.
What is the InChIKey of 2-(cyclohexylamino)-2-(2,4,6-trimethylphenyl)acetonitrile?
The InChIKey is XJTUIXMEIDTZOA-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H24N2/c1-12-9-13(2)17(14(3)10-12)16(11-18)19-15-7-5-4-6-8-15/h9-10,15-16,19H,4-8H2,1-3H3.
What are the key properties of 2-(cyclohexylamino)-2-(2,4,6-trimethylphenyl)acetonitrile?
2-(cyclohexylamino)-2-(2,4,6-trimethylphenyl)acetonitrile has a molecular weight of 256.39 g/mol, XLogP of 4.10, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(cyclohexylamino)-2-(2,4,6-trimethylphenyl)acetonitrile is sourced from PubChem (CID 54894375), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).