2-(4-hydroxybutylamino)-2-methylpropanenitrile

C8H16N2O — CID 15511961

IUPAC2-(4-hydroxybutylamino)-2-methylpropanenitrile
SMILESCC(C)(C#N)NCCCCO
InChIInChI=1S/C8H16N2O/c1-8(2,7-9)10-5-3-4-6-11/h10-11H,3-6H2,1-2H3
InChIKeyZCKWUSYARNMLRV-UHFFFAOYSA-N
MW156.23 g/mol
LogP0.65
Rot. Bonds5

About 2-(4-hydroxybutylamino)-2-methylpropanenitrile

2-(4-hydroxybutylamino)-2-methylpropanenitrile (PubChem CID 15511961) has the molecular formula C8H16N2O and a molecular weight of 156.23 g/mol. Its IUPAC name is 2-(4-hydroxybutylamino)-2-methylpropanenitrile.

Molecular Properties

Compound Name2-(4-hydroxybutylamino)-2-methylpropanenitrile
PubChem CID15511961
Molecular FormulaC8H16N2O
Molecular Weight156.23 g/mol
Exact Mass156.13
IUPAC Name2-(4-hydroxybutylamino)-2-methylpropanenitrile
SMILESCC(C)(C#N)NCCCCO
InChIInChI=1S/C8H16N2O/c1-8(2,7-9)10-5-3-4-6-11/h10-11H,3-6H2,1-2H3
InChIKeyZCKWUSYARNMLRV-UHFFFAOYSA-N
XLogP0.65
TPSA56.05 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500156.23
LogP ≤ 50.65
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

Analyze 2-(4-hydroxybutylamino)-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

4-(Tert-butylamino)-2-fluorobutan-1-ol
CID 166969767
4-(Tert-butylamino)-1-butanol
CID 12484483
3-(4-Hydroxybutylamino)propanenitrile
CID 15726588
4-(2-Methylbutan-2-ylamino)butan-1-ol
CID 21283952
4-(3-Methylpentan-3-ylamino)butan-1-ol
CID 21283959
2-(3-Hydroxy-propylamino)-2-methyl-proprionitrile
CID 28702592
1-(Tert-butylamino)butan-1-ol
CID 57303917
(2R)-4-(tert-butylamino)-2-methylbutan-1-ol
CID 57957388
4-(Tert-butylamino)-2-methylbutan-1-ol
CID 57957465
4-[4-(Methylamino)butylamino]butan-1-ol
CID 88484143
4-(4-Hydroxybutylamino)butanenitrile
CID 106841625
3-[(3-Amino-3-methylbutyl)amino]-3-methylbutan-1-ol
CID 123741873

Frequently Asked Questions

What is the IUPAC name of 2-(4-hydroxybutylamino)-2-methylpropanenitrile?
The IUPAC name of 2-(4-hydroxybutylamino)-2-methylpropanenitrile (CID 15511961) is 2-(4-hydroxybutylamino)-2-methylpropanenitrile.
What is the SMILES notation for 2-(4-hydroxybutylamino)-2-methylpropanenitrile?
The canonical SMILES for 2-(4-hydroxybutylamino)-2-methylpropanenitrile is CC(C)(C#N)NCCCCO.
What is the InChIKey of 2-(4-hydroxybutylamino)-2-methylpropanenitrile?
The InChIKey is ZCKWUSYARNMLRV-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H16N2O/c1-8(2,7-9)10-5-3-4-6-11/h10-11H,3-6H2,1-2H3.
What are the key properties of 2-(4-hydroxybutylamino)-2-methylpropanenitrile?
2-(4-hydroxybutylamino)-2-methylpropanenitrile has a molecular weight of 156.23 g/mol, XLogP of 0.65, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-hydroxybutylamino)-2-methylpropanenitrile is sourced from PubChem (CID 15511961), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).