3-[(3,3-dimethylcyclobutyl)amino]propanenitrile

C9H16N2 — CID 130667552

IUPAC3-[(3,3-dimethylcyclobutyl)amino]propanenitrile
SMILESCC1(C)CC(NCCC#N)C1
InChIInChI=1S/C9H16N2/c1-9(2)6-8(7-9)11-5-3-4-10/h8,11H,3,5-7H2,1-2H3
InChIKeyXMZUKSOFZNSTEQ-UHFFFAOYSA-N
MW152.24 g/mol
LogP1.68
Rot. Bonds3

About 3-[(3,3-dimethylcyclobutyl)amino]propanenitrile

3-[(3,3-dimethylcyclobutyl)amino]propanenitrile (PubChem CID 130667552) has the molecular formula C9H16N2 and a molecular weight of 152.24 g/mol. Its IUPAC name is 3-[(3,3-dimethylcyclobutyl)amino]propanenitrile.

Molecular Properties

Compound Name3-[(3,3-dimethylcyclobutyl)amino]propanenitrile
PubChem CID130667552
Molecular FormulaC9H16N2
Molecular Weight152.24 g/mol
Exact Mass152.13
IUPAC Name3-[(3,3-dimethylcyclobutyl)amino]propanenitrile
SMILESCC1(C)CC(NCCC#N)C1
InChIInChI=1S/C9H16N2/c1-9(2)6-8(7-9)11-5-3-4-10/h8,11H,3,5-7H2,1-2H3
InChIKeyXMZUKSOFZNSTEQ-UHFFFAOYSA-N
XLogP1.68
TPSA35.82 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500152.24
LogP ≤ 51.68
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze 3-[(3,3-dimethylcyclobutyl)amino]propanenitrile 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-(Tert-Octylamino)Propionitrile
CID 573950
Acetonitrile, 2-[(1,1,3,3-tetramethylbutyl)amino]-
CID 415915
N-(1-fluoropropan-2-yl)-3,3-dimethylcyclobutan-1-amine
CID 130709078
2-(2,4,4-Trimethylpentan-2-ylamino)acetonitrile
CID 24188285
4-Methyl-2-(propan-2-ylamino)pentanenitrile
CID 15852216
2-(Tert-butylamino)-4,4-dimethylpentanenitrile
CID 20825455
2-(Tert-butylamino)-5,5-dimethylhexanenitrile
CID 20825473
N-(3,3-dimethylbutyl)cyclobutanamine
CID 21304884
3-(2,2-Dimethylbutylamino)propanenitrile
CID 22259884
2-Methyl-2-(propan-2-ylamino)pentanenitrile
CID 43151505
1-(Propan-2-ylamino)cyclobutane-1-carbonitrile
CID 43173282
3-(4-Methylpentan-2-ylamino)propanenitrile
CID 43207643

Frequently Asked Questions

What is the IUPAC name of 3-[(3,3-dimethylcyclobutyl)amino]propanenitrile?
The IUPAC name of 3-[(3,3-dimethylcyclobutyl)amino]propanenitrile (CID 130667552) is 3-[(3,3-dimethylcyclobutyl)amino]propanenitrile.
What is the SMILES notation for 3-[(3,3-dimethylcyclobutyl)amino]propanenitrile?
The canonical SMILES for 3-[(3,3-dimethylcyclobutyl)amino]propanenitrile is CC1(C)CC(NCCC#N)C1.
What is the InChIKey of 3-[(3,3-dimethylcyclobutyl)amino]propanenitrile?
The InChIKey is XMZUKSOFZNSTEQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H16N2/c1-9(2)6-8(7-9)11-5-3-4-10/h8,11H,3,5-7H2,1-2H3.
What are the key properties of 3-[(3,3-dimethylcyclobutyl)amino]propanenitrile?
3-[(3,3-dimethylcyclobutyl)amino]propanenitrile has a molecular weight of 152.24 g/mol, XLogP of 1.68, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(3,3-dimethylcyclobutyl)amino]propanenitrile is sourced from PubChem (CID 130667552), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).