2,4-dimethyl-3-propan-2-ylpentanenitrile

C10H19N — CID 59610837

IUPAC2,4-dimethyl-3-propan-2-ylpentanenitrile
SMILESCC(C)C(C(C)C)C(C)C#N
InChIInChI=1S/C10H19N/c1-7(2)10(8(3)4)9(5)6-11/h7-10H,1-5H3
InChIKeyNKAGIESGRMSGAC-UHFFFAOYSA-N
MW153.27 g/mol
LogP3.07
Rot. Bonds3

About 2,4-dimethyl-3-propan-2-ylpentanenitrile

2,4-dimethyl-3-propan-2-ylpentanenitrile (PubChem CID 59610837) has the molecular formula C10H19N and a molecular weight of 153.27 g/mol. Its IUPAC name is 2,4-dimethyl-3-propan-2-ylpentanenitrile.

Molecular Properties

Compound Name2,4-dimethyl-3-propan-2-ylpentanenitrile
PubChem CID59610837
Molecular FormulaC10H19N
Molecular Weight153.27 g/mol
Exact Mass153.15
IUPAC Name2,4-dimethyl-3-propan-2-ylpentanenitrile
SMILESCC(C)C(C(C)C)C(C)C#N
InChIInChI=1S/C10H19N/c1-7(2)10(8(3)4)9(5)6-11/h7-10H,1-5H3
InChIKeyNKAGIESGRMSGAC-UHFFFAOYSA-N
XLogP3.07
TPSA23.79 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500153.27
LogP ≤ 53.07
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Analyze 2,4-dimethyl-3-propan-2-ylpentanenitrile with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 2,4-dimethyl-3-propan-2-ylpentanenitrile?
The IUPAC name of 2,4-dimethyl-3-propan-2-ylpentanenitrile (CID 59610837) is 2,4-dimethyl-3-propan-2-ylpentanenitrile.
What is the SMILES notation for 2,4-dimethyl-3-propan-2-ylpentanenitrile?
The canonical SMILES for 2,4-dimethyl-3-propan-2-ylpentanenitrile is CC(C)C(C(C)C)C(C)C#N.
What is the InChIKey of 2,4-dimethyl-3-propan-2-ylpentanenitrile?
The InChIKey is NKAGIESGRMSGAC-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H19N/c1-7(2)10(8(3)4)9(5)6-11/h7-10H,1-5H3.
What are the key properties of 2,4-dimethyl-3-propan-2-ylpentanenitrile?
2,4-dimethyl-3-propan-2-ylpentanenitrile has a molecular weight of 153.27 g/mol, XLogP of 3.07, 3 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2,4-dimethyl-3-propan-2-ylpentanenitrile is sourced from PubChem (CID 59610837), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).