2,2-dimethyl-4-[1-(oxan-4-yl)ethylamino]butanenitrile

C13H24N2O — CID 103925508

IUPAC2,2-dimethyl-4-[1-(oxan-4-yl)ethylamino]butanenitrile
SMILESCC(NCCC(C)(C)C#N)C1CCOCC1
InChIInChI=1S/C13H24N2O/c1-11(12-4-8-16-9-5-12)15-7-6-13(2,3)10-14/h11-12,15H,4-9H2,1-3H3
InChIKeyOMSXFLMFQUHIFF-UHFFFAOYSA-N
MW224.35 g/mol
LogP2.33
Rot. Bonds5

About 2,2-dimethyl-4-[1-(oxan-4-yl)ethylamino]butanenitrile

2,2-dimethyl-4-[1-(oxan-4-yl)ethylamino]butanenitrile (PubChem CID 103925508) has the molecular formula C13H24N2O and a molecular weight of 224.35 g/mol. Its IUPAC name is 2,2-dimethyl-4-[1-(oxan-4-yl)ethylamino]butanenitrile.

Molecular Properties

Compound Name2,2-dimethyl-4-[1-(oxan-4-yl)ethylamino]butanenitrile
PubChem CID103925508
Molecular FormulaC13H24N2O
Molecular Weight224.35 g/mol
Exact Mass224.19
IUPAC Name2,2-dimethyl-4-[1-(oxan-4-yl)ethylamino]butanenitrile
SMILESCC(NCCC(C)(C)C#N)C1CCOCC1
InChIInChI=1S/C13H24N2O/c1-11(12-4-8-16-9-5-12)15-7-6-13(2,3)10-14/h11-12,15H,4-9H2,1-3H3
InChIKeyOMSXFLMFQUHIFF-UHFFFAOYSA-N
XLogP2.33
TPSA45.05 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500224.35
LogP ≤ 52.33
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 2,2-dimethyl-4-[1-(oxan-4-yl)ethylamino]butanenitrile with MolForge

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

Launch Full Analysis

Related Compounds

6-[[(1S)-1-cyclopentylethyl]amino]-2,2-dimethylhexanenitrile
CID 106709498
N-(2-cyclobutylethyl)-1-(oxan-4-yl)ethanamine
CID 115893382
N-(2-cyclohexylethyl)-1-(oxan-4-yl)ethanamine
CID 113260043
N-(2-tert-butylsulfonylethyl)-1-(oxan-4-yl)ethanamine
CID 103902201
4-[1-(oxan-4-yl)ethylamino]butan-2-ol
CID 115720280
N-(2-methylsulfanylethyl)-1-(oxan-4-yl)ethanamine
CID 115706242
N-[1-(oxan-4-yl)ethyl]prop-2-en-1-amine
CID 103914800
2,2-dimethyl-4-(morpholin-4-ylamino)butanenitrile
CID 83020850
1-(oxan-4-yl)-N-[2-(trifluoromethoxy)ethyl]ethanamine
CID 103271280
4-methyl-1-[1-(oxan-4-yl)ethylamino]pentan-3-ol
CID 115723515
N-[(1S)-1-cycloheptylethyl]-3,3-dimethylbutan-1-amine
CID 81391072
2,2-dimethyl-5-(oxolan-3-ylmethylamino)pentanenitrile
CID 65253924

Frequently Asked Questions

What is the IUPAC name of 2,2-dimethyl-4-[1-(oxan-4-yl)ethylamino]butanenitrile?
The IUPAC name of 2,2-dimethyl-4-[1-(oxan-4-yl)ethylamino]butanenitrile (CID 103925508) is 2,2-dimethyl-4-[1-(oxan-4-yl)ethylamino]butanenitrile.
What is the SMILES notation for 2,2-dimethyl-4-[1-(oxan-4-yl)ethylamino]butanenitrile?
The canonical SMILES for 2,2-dimethyl-4-[1-(oxan-4-yl)ethylamino]butanenitrile is CC(NCCC(C)(C)C#N)C1CCOCC1.
What is the InChIKey of 2,2-dimethyl-4-[1-(oxan-4-yl)ethylamino]butanenitrile?
The InChIKey is OMSXFLMFQUHIFF-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H24N2O/c1-11(12-4-8-16-9-5-12)15-7-6-13(2,3)10-14/h11-12,15H,4-9H2,1-3H3.
What are the key properties of 2,2-dimethyl-4-[1-(oxan-4-yl)ethylamino]butanenitrile?
2,2-dimethyl-4-[1-(oxan-4-yl)ethylamino]butanenitrile has a molecular weight of 224.35 g/mol, XLogP of 2.33, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2,2-dimethyl-4-[1-(oxan-4-yl)ethylamino]butanenitrile is sourced from PubChem (CID 103925508), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).