4-(hexylamino)-2,2-dimethylbutanenitrile

C12H24N2 — CID 65253637

IUPAC4-(hexylamino)-2,2-dimethylbutanenitrile
SMILESCCCCCCNCCC(C)(C)C#N
InChIInChI=1S/C12H24N2/c1-4-5-6-7-9-14-10-8-12(2,3)11-13/h14H,4-10H2,1-3H3
InChIKeyVAWBZFASRAKNAW-UHFFFAOYSA-N
MW196.34 g/mol
LogP3.10
Rot. Bonds8

About 4-(hexylamino)-2,2-dimethylbutanenitrile

4-(hexylamino)-2,2-dimethylbutanenitrile (PubChem CID 65253637) has the molecular formula C12H24N2 and a molecular weight of 196.34 g/mol. Its IUPAC name is 4-(hexylamino)-2,2-dimethylbutanenitrile.

Molecular Properties

Compound Name4-(hexylamino)-2,2-dimethylbutanenitrile
PubChem CID65253637
Molecular FormulaC12H24N2
Molecular Weight196.34 g/mol
Exact Mass196.19
IUPAC Name4-(hexylamino)-2,2-dimethylbutanenitrile
SMILESCCCCCCNCCC(C)(C)C#N
InChIInChI=1S/C12H24N2/c1-4-5-6-7-9-14-10-8-12(2,3)11-13/h14H,4-10H2,1-3H3
InChIKeyVAWBZFASRAKNAW-UHFFFAOYSA-N
XLogP3.10
TPSA35.82 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds8
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500196.34
LogP ≤ 53.10
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze 4-(hexylamino)-2,2-dimethylbutanenitrile 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-(6-hydroxyhexylamino)-2,2-dimethylbutanenitrile
CID 107851566
4-[3-(diethylamino)propylamino]-2,2-dimethylbutanenitrile
CID 65248790
2-(nonylamino)acetonitrile
CID 151643365
5-(ethylamino)-2,2-dimethylpentanenitrile
CID 65256305
N-hexyltridecan-1-amine
CID 87659278
octane;N-octylnonan-1-amine
CID 145152206
N-undecyltetradecan-1-amine
CID 166059375
N,N'-diheptyldecane-1,10-diamine
CID 3028161
N,N'-diheptylhexane-1,6-diamine
CID 3028571
2-(hexylamino)acetonitrile;hydrochloride
CID 22259892
18,18-dimethyl-N-octadecylnonadecan-1-amine
CID 154404952
2,2-dimethyl-6-(2-prop-2-ynylsulfanylethylamino)hexanenitrile
CID 106428439

Frequently Asked Questions

What is the IUPAC name of 4-(hexylamino)-2,2-dimethylbutanenitrile?
The IUPAC name of 4-(hexylamino)-2,2-dimethylbutanenitrile (CID 65253637) is 4-(hexylamino)-2,2-dimethylbutanenitrile.
What is the SMILES notation for 4-(hexylamino)-2,2-dimethylbutanenitrile?
The canonical SMILES for 4-(hexylamino)-2,2-dimethylbutanenitrile is CCCCCCNCCC(C)(C)C#N.
What is the InChIKey of 4-(hexylamino)-2,2-dimethylbutanenitrile?
The InChIKey is VAWBZFASRAKNAW-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H24N2/c1-4-5-6-7-9-14-10-8-12(2,3)11-13/h14H,4-10H2,1-3H3.
What are the key properties of 4-(hexylamino)-2,2-dimethylbutanenitrile?
4-(hexylamino)-2,2-dimethylbutanenitrile has a molecular weight of 196.34 g/mol, XLogP of 3.10, 8 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(hexylamino)-2,2-dimethylbutanenitrile is sourced from PubChem (CID 65253637), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).