3-[ethyl-(2-hydroxy-2,3-dimethylbutyl)amino]-2-methylpropanenitrile

C12H24N2O — CID 114448919

IUPAC3-[ethyl-(2-hydroxy-2,3-dimethylbutyl)amino]-2-methylpropanenitrile
SMILESCCN(CC(C)C#N)CC(C)(O)C(C)C
InChIInChI=1S/C12H24N2O/c1-6-14(8-11(4)7-13)9-12(5,15)10(2)3/h10-11,15H,6,8-9H2,1-5H3
InChIKeyYVOYLQIOBSAWGX-UHFFFAOYSA-N
MW212.34 g/mol
LogP1.87
Rot. Bonds6

About 3-[ethyl-(2-hydroxy-2,3-dimethylbutyl)amino]-2-methylpropanenitrile

3-[ethyl-(2-hydroxy-2,3-dimethylbutyl)amino]-2-methylpropanenitrile (PubChem CID 114448919) has the molecular formula C12H24N2O and a molecular weight of 212.34 g/mol. Its IUPAC name is 3-[ethyl-(2-hydroxy-2,3-dimethylbutyl)amino]-2-methylpropanenitrile.

Molecular Properties

Compound Name3-[ethyl-(2-hydroxy-2,3-dimethylbutyl)amino]-2-methylpropanenitrile
PubChem CID114448919
Molecular FormulaC12H24N2O
Molecular Weight212.34 g/mol
Exact Mass212.19
IUPAC Name3-[ethyl-(2-hydroxy-2,3-dimethylbutyl)amino]-2-methylpropanenitrile
SMILESCCN(CC(C)C#N)CC(C)(O)C(C)C
InChIInChI=1S/C12H24N2O/c1-6-14(8-11(4)7-13)9-12(5,15)10(2)3/h10-11,15H,6,8-9H2,1-5H3
InChIKeyYVOYLQIOBSAWGX-UHFFFAOYSA-N
XLogP1.87
TPSA47.26 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500212.34
LogP ≤ 51.87
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 3-[ethyl-(2-hydroxy-2,3-dimethylbutyl)amino]-2-methylpropanenitrile 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

3-[(3-amino-2,2-dimethylpropyl)-ethylamino]-2-methylpropanenitrile
CID 78987351
1-[ethyl(propyl)amino]-2,3-dimethylbutan-2-ol
CID 114448900
1-[ethyl-(2-hydroxy-2-methylpropyl)amino]-2,3-dimethylbutan-2-ol
CID 114448993
3-[[2-(bromomethyl)-2-ethylbutyl]-ethylamino]-2-methylpropanenitrile
CID 65003883
2-[ethyl-(2-hydroxy-2,3-dimethylbutyl)amino]acetic acid
CID 114494839
3-[(2-hydroxy-2-methylbutyl)-methylamino]-2-methylpropanenitrile
CID 114493790
2-[2-cyanopropyl(ethyl)amino]-N,N-diethylacetamide
CID 60585362
2-[2-cyanopropyl(ethyl)amino]-N,N-dimethylacetamide
CID 61450794
3-[ethyl(2-methoxyethyl)amino]-2-methylpropanenitrile
CID 61448617
3-[ethyl(3-fluoropropyl)amino]-2-methylpropanenitrile
CID 81105423
3-[3-(dimethylamino)propyl-ethylamino]-2-methylpropanenitrile
CID 115630903
1-[1-(dimethylamino)propan-2-yl-ethylamino]-2,3-dimethylbutan-2-ol
CID 103190439

Frequently Asked Questions

What is the IUPAC name of 3-[ethyl-(2-hydroxy-2,3-dimethylbutyl)amino]-2-methylpropanenitrile?
The IUPAC name of 3-[ethyl-(2-hydroxy-2,3-dimethylbutyl)amino]-2-methylpropanenitrile (CID 114448919) is 3-[ethyl-(2-hydroxy-2,3-dimethylbutyl)amino]-2-methylpropanenitrile.
What is the SMILES notation for 3-[ethyl-(2-hydroxy-2,3-dimethylbutyl)amino]-2-methylpropanenitrile?
The canonical SMILES for 3-[ethyl-(2-hydroxy-2,3-dimethylbutyl)amino]-2-methylpropanenitrile is CCN(CC(C)C#N)CC(C)(O)C(C)C.
What is the InChIKey of 3-[ethyl-(2-hydroxy-2,3-dimethylbutyl)amino]-2-methylpropanenitrile?
The InChIKey is YVOYLQIOBSAWGX-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H24N2O/c1-6-14(8-11(4)7-13)9-12(5,15)10(2)3/h10-11,15H,6,8-9H2,1-5H3.
What are the key properties of 3-[ethyl-(2-hydroxy-2,3-dimethylbutyl)amino]-2-methylpropanenitrile?
3-[ethyl-(2-hydroxy-2,3-dimethylbutyl)amino]-2-methylpropanenitrile has a molecular weight of 212.34 g/mol, XLogP of 1.87, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[ethyl-(2-hydroxy-2,3-dimethylbutyl)amino]-2-methylpropanenitrile is sourced from PubChem (CID 114448919), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).