2-methyl-2-(oxolan-2-ylmethylamino)butanenitrile

C10H18N2O — CID 61006171

IUPAC2-methyl-2-(oxolan-2-ylmethylamino)butanenitrile
SMILESCCC(C)(C#N)NCC1CCCO1
InChIInChI=1S/C10H18N2O/c1-3-10(2,8-11)12-7-9-5-4-6-13-9/h9,12H,3-7H2,1-2H3
InChIKeyLCUYCHZZLSTYGB-UHFFFAOYSA-N
MW182.27 g/mol
LogP1.45
Rot. Bonds4

About 2-methyl-2-(oxolan-2-ylmethylamino)butanenitrile

2-methyl-2-(oxolan-2-ylmethylamino)butanenitrile (PubChem CID 61006171) has the molecular formula C10H18N2O and a molecular weight of 182.27 g/mol. Its IUPAC name is 2-methyl-2-(oxolan-2-ylmethylamino)butanenitrile.

Molecular Properties

Compound Name2-methyl-2-(oxolan-2-ylmethylamino)butanenitrile
PubChem CID61006171
Molecular FormulaC10H18N2O
Molecular Weight182.27 g/mol
Exact Mass182.14
IUPAC Name2-methyl-2-(oxolan-2-ylmethylamino)butanenitrile
SMILESCCC(C)(C#N)NCC1CCCO1
InChIInChI=1S/C10H18N2O/c1-3-10(2,8-11)12-7-9-5-4-6-13-9/h9,12H,3-7H2,1-2H3
InChIKeyLCUYCHZZLSTYGB-UHFFFAOYSA-N
XLogP1.45
TPSA45.05 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500182.27
LogP ≤ 51.45
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 2-methyl-2-(oxolan-2-ylmethylamino)butanenitrile 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-methyl-2-(oxolan-2-ylmethylamino)butanenitrile?
The IUPAC name of 2-methyl-2-(oxolan-2-ylmethylamino)butanenitrile (CID 61006171) is 2-methyl-2-(oxolan-2-ylmethylamino)butanenitrile.
What is the SMILES notation for 2-methyl-2-(oxolan-2-ylmethylamino)butanenitrile?
The canonical SMILES for 2-methyl-2-(oxolan-2-ylmethylamino)butanenitrile is CCC(C)(C#N)NCC1CCCO1.
What is the InChIKey of 2-methyl-2-(oxolan-2-ylmethylamino)butanenitrile?
The InChIKey is LCUYCHZZLSTYGB-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H18N2O/c1-3-10(2,8-11)12-7-9-5-4-6-13-9/h9,12H,3-7H2,1-2H3.
What are the key properties of 2-methyl-2-(oxolan-2-ylmethylamino)butanenitrile?
2-methyl-2-(oxolan-2-ylmethylamino)butanenitrile has a molecular weight of 182.27 g/mol, XLogP of 1.45, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-2-(oxolan-2-ylmethylamino)butanenitrile is sourced from PubChem (CID 61006171), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).