2-amino-4-(3,4-dimethylcyclohexyl)oxy-2-methylpentanenitrile

C14H26N2O — CID 64746754

IUPAC2-amino-4-(3,4-dimethylcyclohexyl)oxy-2-methylpentanenitrile
SMILESCC(CC(C)(N)C#N)OC1CCC(C)C(C)C1
InChIInChI=1S/C14H26N2O/c1-10-5-6-13(7-11(10)2)17-12(3)8-14(4,16)9-15/h10-13H,5-8,16H2,1-4H3
InChIKeyLUPSOGXEVPHFLH-UHFFFAOYSA-N
MW238.37 g/mol
LogP2.85
Rot. Bonds4

About 2-amino-4-(3,4-dimethylcyclohexyl)oxy-2-methylpentanenitrile

2-amino-4-(3,4-dimethylcyclohexyl)oxy-2-methylpentanenitrile (PubChem CID 64746754) has the molecular formula C14H26N2O and a molecular weight of 238.37 g/mol. Its IUPAC name is 2-amino-4-(3,4-dimethylcyclohexyl)oxy-2-methylpentanenitrile.

Molecular Properties

Compound Name2-amino-4-(3,4-dimethylcyclohexyl)oxy-2-methylpentanenitrile
PubChem CID64746754
Molecular FormulaC14H26N2O
Molecular Weight238.37 g/mol
Exact Mass238.20
IUPAC Name2-amino-4-(3,4-dimethylcyclohexyl)oxy-2-methylpentanenitrile
SMILESCC(CC(C)(N)C#N)OC1CCC(C)C(C)C1
InChIInChI=1S/C14H26N2O/c1-10-5-6-13(7-11(10)2)17-12(3)8-14(4,16)9-15/h10-13H,5-8,16H2,1-4H3
InChIKeyLUPSOGXEVPHFLH-UHFFFAOYSA-N
XLogP2.85
TPSA59.04 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500238.37
LogP ≤ 52.85
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 2-amino-4-(3,4-dimethylcyclohexyl)oxy-2-methylpentanenitrile with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 2-amino-4-(3,4-dimethylcyclohexyl)oxy-2-methylpentanenitrile?
The IUPAC name of 2-amino-4-(3,4-dimethylcyclohexyl)oxy-2-methylpentanenitrile (CID 64746754) is 2-amino-4-(3,4-dimethylcyclohexyl)oxy-2-methylpentanenitrile.
What is the SMILES notation for 2-amino-4-(3,4-dimethylcyclohexyl)oxy-2-methylpentanenitrile?
The canonical SMILES for 2-amino-4-(3,4-dimethylcyclohexyl)oxy-2-methylpentanenitrile is CC(CC(C)(N)C#N)OC1CCC(C)C(C)C1.
What is the InChIKey of 2-amino-4-(3,4-dimethylcyclohexyl)oxy-2-methylpentanenitrile?
The InChIKey is LUPSOGXEVPHFLH-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H26N2O/c1-10-5-6-13(7-11(10)2)17-12(3)8-14(4,16)9-15/h10-13H,5-8,16H2,1-4H3.
What are the key properties of 2-amino-4-(3,4-dimethylcyclohexyl)oxy-2-methylpentanenitrile?
2-amino-4-(3,4-dimethylcyclohexyl)oxy-2-methylpentanenitrile has a molecular weight of 238.37 g/mol, XLogP of 2.85, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-4-(3,4-dimethylcyclohexyl)oxy-2-methylpentanenitrile is sourced from PubChem (CID 64746754), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).