4,4-dimethylpentanenitrile;2,2-dimethylpropane

C12H25N — CID 165090579

IUPAC4,4-dimethylpentanenitrile;2,2-dimethylpropane
SMILESCC(C)(C)C.CC(C)(C)CCC#N
InChIInChI=1S/C7H13N.C5H12/c1-7(2,3)5-4-6-8;1-5(2,3)4/h4-5H2,1-3H3;1-4H3
InChIKeyWPZGJZSSRSRIAO-UHFFFAOYSA-N
MW183.34 g/mol
LogP4.39
Rot. Bonds1

About 4,4-dimethylpentanenitrile;2,2-dimethylpropane

4,4-dimethylpentanenitrile;2,2-dimethylpropane (PubChem CID 165090579) has the molecular formula C12H25N and a molecular weight of 183.34 g/mol. Its IUPAC name is 4,4-dimethylpentanenitrile;2,2-dimethylpropane.

Molecular Properties

Compound Name4,4-dimethylpentanenitrile;2,2-dimethylpropane
PubChem CID165090579
Molecular FormulaC12H25N
Molecular Weight183.34 g/mol
Exact Mass183.20
IUPAC Name4,4-dimethylpentanenitrile;2,2-dimethylpropane
SMILESCC(C)(C)C.CC(C)(C)CCC#N
InChIInChI=1S/C7H13N.C5H12/c1-7(2,3)5-4-6-8;1-5(2,3)4/h4-5H2,1-3H3;1-4H3
InChIKeyWPZGJZSSRSRIAO-UHFFFAOYSA-N
XLogP4.39
TPSA23.79 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500183.34
LogP ≤ 54.39
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Analyze 4,4-dimethylpentanenitrile;2,2-dimethylpropane 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

4,4-dimethylpentanenitrile
CID 12656145
2,2-dimethylpentanedinitrile
CID 19809777
3-[3,3-dimethylbutyl(methyl)amino]propanenitrile
CID 60684407
2-hydroxy-2-methylpentanedinitrile
CID 23346026
4-methoxy-4-methylpentanenitrile
CID 89129728
4-(methoxymethyl)-4-methylheptanedinitrile
CID 123915841
9-hydroxy-4,4,7,7-tetramethylnonanenitrile
CID 166904994
tert-butylcyclohexane;4-tert-butyloxane;4,4-dimethylpentanenitrile;methane
CID 157213296
4-amino-5,5-difluoro-4-methylpentanenitrile
CID 20725275
3-cyano-N-(3,3-dimethylbutyl)propanamide
CID 115173922
3-methylsulfanylpentane-1,3,5-tricarbonitrile
CID 146474780
5-hydroxy-5-methylhexanenitrile
CID 19885706

Frequently Asked Questions

What is the IUPAC name of 4,4-dimethylpentanenitrile;2,2-dimethylpropane?
The IUPAC name of 4,4-dimethylpentanenitrile;2,2-dimethylpropane (CID 165090579) is 4,4-dimethylpentanenitrile;2,2-dimethylpropane.
What is the SMILES notation for 4,4-dimethylpentanenitrile;2,2-dimethylpropane?
The canonical SMILES for 4,4-dimethylpentanenitrile;2,2-dimethylpropane is CC(C)(C)C.CC(C)(C)CCC#N.
What is the InChIKey of 4,4-dimethylpentanenitrile;2,2-dimethylpropane?
The InChIKey is WPZGJZSSRSRIAO-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H13N.C5H12/c1-7(2,3)5-4-6-8;1-5(2,3)4/h4-5H2,1-3H3;1-4H3.
What are the key properties of 4,4-dimethylpentanenitrile;2,2-dimethylpropane?
4,4-dimethylpentanenitrile;2,2-dimethylpropane has a molecular weight of 183.34 g/mol, XLogP of 4.39, 1 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 4,4-dimethylpentanenitrile;2,2-dimethylpropane is sourced from PubChem (CID 165090579), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).