2-[1-[[(2-hydroxy-4,4-dimethylpentyl)amino]methyl]cyclopropyl]acetonitrile

C13H24N2O — CID 107152234

IUPAC2-[1-[[(2-hydroxy-4,4-dimethylpentyl)amino]methyl]cyclopropyl]acetonitrile
SMILESCC(C)(C)CC(O)CNCC1(CC#N)CC1
InChIInChI=1S/C13H24N2O/c1-12(2,3)8-11(16)9-15-10-13(4-5-13)6-7-14/h11,15-16H,4-6,8-10H2,1-3H3
InChIKeyOXURDHKUTWMGHO-UHFFFAOYSA-N
MW224.35 g/mol
LogP2.07
Rot. Bonds6

About 2-[1-[[(2-hydroxy-4,4-dimethylpentyl)amino]methyl]cyclopropyl]acetonitrile

2-[1-[[(2-hydroxy-4,4-dimethylpentyl)amino]methyl]cyclopropyl]acetonitrile (PubChem CID 107152234) has the molecular formula C13H24N2O and a molecular weight of 224.35 g/mol. Its IUPAC name is 2-[1-[[(2-hydroxy-4,4-dimethylpentyl)amino]methyl]cyclopropyl]acetonitrile.

Molecular Properties

Compound Name2-[1-[[(2-hydroxy-4,4-dimethylpentyl)amino]methyl]cyclopropyl]acetonitrile
PubChem CID107152234
Molecular FormulaC13H24N2O
Molecular Weight224.35 g/mol
Exact Mass224.19
IUPAC Name2-[1-[[(2-hydroxy-4,4-dimethylpentyl)amino]methyl]cyclopropyl]acetonitrile
SMILESCC(C)(C)CC(O)CNCC1(CC#N)CC1
InChIInChI=1S/C13H24N2O/c1-12(2,3)8-11(16)9-15-10-13(4-5-13)6-7-14/h11,15-16H,4-6,8-10H2,1-3H3
InChIKeyOXURDHKUTWMGHO-UHFFFAOYSA-N
XLogP2.07
TPSA56.05 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500224.35
LogP ≤ 52.07
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze 2-[1-[[(2-hydroxy-4,4-dimethylpentyl)amino]methyl]cyclopropyl]acetonitrile 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

3,3,3-Trifluoro-2-[[(2-hydroxy-4,4-dimethylpentyl)amino]methyl]propanenitrile
CID 107152141
4,4-Dimethyl-1-(propylamino)pentan-2-ol
CID 58530930
1-(Ethylamino)-4,4-dimethylpentan-2-ol
CID 62950255
1-(3,3-Dimethylbutylamino)-4,4-dimethylpentan-2-ol
CID 102672245
5-(2-Hydroxyethylamino)-4,4-dimethylpentanenitrile
CID 115651598
1-(6-Aminohexylamino)-4,4-dimethylpentan-2-ol
CID 142062163
1-(Cyclopropylamino)-4,4-dimethylpentan-2-ol
CID 62950434
3-[(2-Cyclopropyl-2-hydroxyethyl)amino]butanenitrile
CID 63296171
3-[(2-Cyclopropyl-2-hydroxyethyl)amino]propanenitrile
CID 63296355
3-[(2-Cyclopropyl-2-hydroxyethyl)amino]-2-methylpropanenitrile
CID 63296489
3-[(2-Cyclopropyl-2-hydroxyethyl)amino]pentanenitrile
CID 63296531
5-[(2-Cyclopropyl-2-hydroxyethyl)amino]pentanenitrile
CID 63298580

Frequently Asked Questions

What is the IUPAC name of 2-[1-[[(2-hydroxy-4,4-dimethylpentyl)amino]methyl]cyclopropyl]acetonitrile?
The IUPAC name of 2-[1-[[(2-hydroxy-4,4-dimethylpentyl)amino]methyl]cyclopropyl]acetonitrile (CID 107152234) is 2-[1-[[(2-hydroxy-4,4-dimethylpentyl)amino]methyl]cyclopropyl]acetonitrile.
What is the SMILES notation for 2-[1-[[(2-hydroxy-4,4-dimethylpentyl)amino]methyl]cyclopropyl]acetonitrile?
The canonical SMILES for 2-[1-[[(2-hydroxy-4,4-dimethylpentyl)amino]methyl]cyclopropyl]acetonitrile is CC(C)(C)CC(O)CNCC1(CC#N)CC1.
What is the InChIKey of 2-[1-[[(2-hydroxy-4,4-dimethylpentyl)amino]methyl]cyclopropyl]acetonitrile?
The InChIKey is OXURDHKUTWMGHO-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H24N2O/c1-12(2,3)8-11(16)9-15-10-13(4-5-13)6-7-14/h11,15-16H,4-6,8-10H2,1-3H3.
What are the key properties of 2-[1-[[(2-hydroxy-4,4-dimethylpentyl)amino]methyl]cyclopropyl]acetonitrile?
2-[1-[[(2-hydroxy-4,4-dimethylpentyl)amino]methyl]cyclopropyl]acetonitrile has a molecular weight of 224.35 g/mol, XLogP of 2.07, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1-[[(2-hydroxy-4,4-dimethylpentyl)amino]methyl]cyclopropyl]acetonitrile is sourced from PubChem (CID 107152234), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).