2-(2-hydroxyethylamino)-4,4-dimethylpentanenitrile

C9H18N2O — CID 62952131

IUPAC2-(2-hydroxyethylamino)-4,4-dimethylpentanenitrile
SMILESCC(C)(C)CC(C#N)NCCO
InChIInChI=1S/C9H18N2O/c1-9(2,3)6-8(7-10)11-4-5-12/h8,11-12H,4-6H2,1-3H3
InChIKeyQQEGXFUNTUDBDD-UHFFFAOYSA-N
MW170.26 g/mol
LogP0.90
Rot. Bonds4

About 2-(2-hydroxyethylamino)-4,4-dimethylpentanenitrile

2-(2-hydroxyethylamino)-4,4-dimethylpentanenitrile (PubChem CID 62952131) has the molecular formula C9H18N2O and a molecular weight of 170.26 g/mol. Its IUPAC name is 2-(2-hydroxyethylamino)-4,4-dimethylpentanenitrile.

Molecular Properties

Compound Name2-(2-hydroxyethylamino)-4,4-dimethylpentanenitrile
PubChem CID62952131
Molecular FormulaC9H18N2O
Molecular Weight170.26 g/mol
Exact Mass170.14
IUPAC Name2-(2-hydroxyethylamino)-4,4-dimethylpentanenitrile
SMILESCC(C)(C)CC(C#N)NCCO
InChIInChI=1S/C9H18N2O/c1-9(2,3)6-8(7-10)11-4-5-12/h8,11-12H,4-6H2,1-3H3
InChIKeyQQEGXFUNTUDBDD-UHFFFAOYSA-N
XLogP0.90
TPSA56.05 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500170.26
LogP ≤ 50.90
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze 2-(2-hydroxyethylamino)-4,4-dimethylpentanenitrile 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-(2-hydroxyethylamino)-4,4-dimethylpentanenitrile?
The IUPAC name of 2-(2-hydroxyethylamino)-4,4-dimethylpentanenitrile (CID 62952131) is 2-(2-hydroxyethylamino)-4,4-dimethylpentanenitrile.
What is the SMILES notation for 2-(2-hydroxyethylamino)-4,4-dimethylpentanenitrile?
The canonical SMILES for 2-(2-hydroxyethylamino)-4,4-dimethylpentanenitrile is CC(C)(C)CC(C#N)NCCO.
What is the InChIKey of 2-(2-hydroxyethylamino)-4,4-dimethylpentanenitrile?
The InChIKey is QQEGXFUNTUDBDD-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H18N2O/c1-9(2,3)6-8(7-10)11-4-5-12/h8,11-12H,4-6H2,1-3H3.
What are the key properties of 2-(2-hydroxyethylamino)-4,4-dimethylpentanenitrile?
2-(2-hydroxyethylamino)-4,4-dimethylpentanenitrile has a molecular weight of 170.26 g/mol, XLogP of 0.90, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-hydroxyethylamino)-4,4-dimethylpentanenitrile is sourced from PubChem (CID 62952131), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).