2-[4-[(2,6-dimethylcyclohexyl)amino]phenyl]-2-methylpropanenitrile

C18H26N2 — CID 43674349

IUPAC2-[4-[(2,6-dimethylcyclohexyl)amino]phenyl]-2-methylpropanenitrile
SMILESCC1CCCC(C)C1Nc1ccc(C(C)(C)C#N)cc1
InChIInChI=1S/C18H26N2/c1-13-6-5-7-14(2)17(13)20-16-10-8-15(9-11-16)18(3,4)12-19/h8-11,13-14,17,20H,5-7H2,1-4H3
InChIKeyHAFMGIGSPLUOFF-UHFFFAOYSA-N
MW270.42 g/mol
LogP4.72
Rot. Bonds3

About 2-[4-[(2,6-dimethylcyclohexyl)amino]phenyl]-2-methylpropanenitrile

2-[4-[(2,6-dimethylcyclohexyl)amino]phenyl]-2-methylpropanenitrile (PubChem CID 43674349) has the molecular formula C18H26N2 and a molecular weight of 270.42 g/mol. Its IUPAC name is 2-[4-[(2,6-dimethylcyclohexyl)amino]phenyl]-2-methylpropanenitrile.

Molecular Properties

Compound Name2-[4-[(2,6-dimethylcyclohexyl)amino]phenyl]-2-methylpropanenitrile
PubChem CID43674349
Molecular FormulaC18H26N2
Molecular Weight270.42 g/mol
Exact Mass270.21
IUPAC Name2-[4-[(2,6-dimethylcyclohexyl)amino]phenyl]-2-methylpropanenitrile
SMILESCC1CCCC(C)C1Nc1ccc(C(C)(C)C#N)cc1
InChIInChI=1S/C18H26N2/c1-13-6-5-7-14(2)17(13)20-16-10-8-15(9-11-16)18(3,4)12-19/h8-11,13-14,17,20H,5-7H2,1-4H3
InChIKeyHAFMGIGSPLUOFF-UHFFFAOYSA-N
XLogP4.72
TPSA35.82 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500270.42
LogP ≤ 54.72
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-[4-[(2,6-dimethylcyclohexyl)amino]phenyl]-2-methylpropanenitrile?
The IUPAC name of 2-[4-[(2,6-dimethylcyclohexyl)amino]phenyl]-2-methylpropanenitrile (CID 43674349) is 2-[4-[(2,6-dimethylcyclohexyl)amino]phenyl]-2-methylpropanenitrile.
What is the SMILES notation for 2-[4-[(2,6-dimethylcyclohexyl)amino]phenyl]-2-methylpropanenitrile?
The canonical SMILES for 2-[4-[(2,6-dimethylcyclohexyl)amino]phenyl]-2-methylpropanenitrile is CC1CCCC(C)C1Nc1ccc(C(C)(C)C#N)cc1.
What is the InChIKey of 2-[4-[(2,6-dimethylcyclohexyl)amino]phenyl]-2-methylpropanenitrile?
The InChIKey is HAFMGIGSPLUOFF-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H26N2/c1-13-6-5-7-14(2)17(13)20-16-10-8-15(9-11-16)18(3,4)12-19/h8-11,13-14,17,20H,5-7H2,1-4H3.
What are the key properties of 2-[4-[(2,6-dimethylcyclohexyl)amino]phenyl]-2-methylpropanenitrile?
2-[4-[(2,6-dimethylcyclohexyl)amino]phenyl]-2-methylpropanenitrile has a molecular weight of 270.42 g/mol, XLogP of 4.72, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-[(2,6-dimethylcyclohexyl)amino]phenyl]-2-methylpropanenitrile is sourced from PubChem (CID 43674349), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).