3-[(1-hydroxy-4-methylpentan-3-yl)amino]pentanenitrile

C11H22N2O — CID 106349487

IUPAC3-[(1-hydroxy-4-methylpentan-3-yl)amino]pentanenitrile
SMILESCCC(CC#N)NC(CCO)C(C)C
InChIInChI=1S/C11H22N2O/c1-4-10(5-7-12)13-11(6-8-14)9(2)3/h9-11,13-14H,4-6,8H2,1-3H3
InChIKeyFDLLDXBOTJSOAZ-UHFFFAOYSA-N
MW198.31 g/mol
LogP1.68
Rot. Bonds7

About 3-[(1-hydroxy-4-methylpentan-3-yl)amino]pentanenitrile

3-[(1-hydroxy-4-methylpentan-3-yl)amino]pentanenitrile (PubChem CID 106349487) has the molecular formula C11H22N2O and a molecular weight of 198.31 g/mol. Its IUPAC name is 3-[(1-hydroxy-4-methylpentan-3-yl)amino]pentanenitrile.

Molecular Properties

Compound Name3-[(1-hydroxy-4-methylpentan-3-yl)amino]pentanenitrile
PubChem CID106349487
Molecular FormulaC11H22N2O
Molecular Weight198.31 g/mol
Exact Mass198.17
IUPAC Name3-[(1-hydroxy-4-methylpentan-3-yl)amino]pentanenitrile
SMILESCCC(CC#N)NC(CCO)C(C)C
InChIInChI=1S/C11H22N2O/c1-4-10(5-7-12)13-11(6-8-14)9(2)3/h9-11,13-14H,4-6,8H2,1-3H3
InChIKeyFDLLDXBOTJSOAZ-UHFFFAOYSA-N
XLogP1.68
TPSA56.05 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500198.31
LogP ≤ 51.68
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze 3-[(1-hydroxy-4-methylpentan-3-yl)amino]pentanenitrile 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-(2-Fluoroethylamino)-4-methylpentan-1-ol
CID 104891948
3-(3-Fluoropropylamino)-4-methylpentan-1-ol
CID 104892085
3,3,3-Trifluoro-2-[[(1-hydroxy-4-methylpentan-3-yl)amino]methyl]propanenitrile
CID 106349476
3,3,3-Trifluoro-2-[[(1-hydroxy-4,4-dimethylpentan-3-yl)amino]methyl]propanenitrile
CID 114176890
2-(3-Hydroxypropylamino)pentanenitrile
CID 57028033
4-Methyl-3-(methylamino)pentan-1-ol
CID 59515965
3-(Ethylamino)-4-methylpentan-1-ol
CID 64814074
4-Methyl-3-(propan-2-ylamino)pentan-1-ol
CID 86063163
3-(2-Methylpropylamino)pentan-1-ol
CID 87646581
(3R)-3-(tert-butylamino)-4-methylpentan-1-ol
CID 88093701
3-(Tert-butylamino)-4-methylpentan-1-ol
CID 88093702
3-(2,2-Dimethylpropylamino)-4-methylpentan-1-ol
CID 115656012

Frequently Asked Questions

What is the IUPAC name of 3-[(1-hydroxy-4-methylpentan-3-yl)amino]pentanenitrile?
The IUPAC name of 3-[(1-hydroxy-4-methylpentan-3-yl)amino]pentanenitrile (CID 106349487) is 3-[(1-hydroxy-4-methylpentan-3-yl)amino]pentanenitrile.
What is the SMILES notation for 3-[(1-hydroxy-4-methylpentan-3-yl)amino]pentanenitrile?
The canonical SMILES for 3-[(1-hydroxy-4-methylpentan-3-yl)amino]pentanenitrile is CCC(CC#N)NC(CCO)C(C)C.
What is the InChIKey of 3-[(1-hydroxy-4-methylpentan-3-yl)amino]pentanenitrile?
The InChIKey is FDLLDXBOTJSOAZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H22N2O/c1-4-10(5-7-12)13-11(6-8-14)9(2)3/h9-11,13-14H,4-6,8H2,1-3H3.
What are the key properties of 3-[(1-hydroxy-4-methylpentan-3-yl)amino]pentanenitrile?
3-[(1-hydroxy-4-methylpentan-3-yl)amino]pentanenitrile has a molecular weight of 198.31 g/mol, XLogP of 1.68, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(1-hydroxy-4-methylpentan-3-yl)amino]pentanenitrile is sourced from PubChem (CID 106349487), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).