2,4-dimethyl-2-(propan-2-ylamino)pentanenitrile

C10H20N2 — CID 43151541

IUPAC2,4-dimethyl-2-(propan-2-ylamino)pentanenitrile
SMILESCC(C)CC(C)(C#N)NC(C)C
InChIInChI=1S/C10H20N2/c1-8(2)6-10(5,7-11)12-9(3)4/h8-9,12H,6H2,1-5H3
InChIKeyFZVBMXLQYQUJAB-UHFFFAOYSA-N
MW168.28 g/mol
LogP2.31
Rot. Bonds4

About 2,4-dimethyl-2-(propan-2-ylamino)pentanenitrile

2,4-dimethyl-2-(propan-2-ylamino)pentanenitrile (PubChem CID 43151541) has the molecular formula C10H20N2 and a molecular weight of 168.28 g/mol. Its IUPAC name is 2,4-dimethyl-2-(propan-2-ylamino)pentanenitrile.

Molecular Properties

Compound Name2,4-dimethyl-2-(propan-2-ylamino)pentanenitrile
PubChem CID43151541
Molecular FormulaC10H20N2
Molecular Weight168.28 g/mol
Exact Mass168.16
IUPAC Name2,4-dimethyl-2-(propan-2-ylamino)pentanenitrile
SMILESCC(C)CC(C)(C#N)NC(C)C
InChIInChI=1S/C10H20N2/c1-8(2)6-10(5,7-11)12-9(3)4/h8-9,12H,6H2,1-5H3
InChIKeyFZVBMXLQYQUJAB-UHFFFAOYSA-N
XLogP2.31
TPSA35.82 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500168.28
LogP ≤ 52.31
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze 2,4-dimethyl-2-(propan-2-ylamino)pentanenitrile 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-2-(propan-2-ylamino)pentanenitrile?
The IUPAC name of 2,4-dimethyl-2-(propan-2-ylamino)pentanenitrile (CID 43151541) is 2,4-dimethyl-2-(propan-2-ylamino)pentanenitrile.
What is the SMILES notation for 2,4-dimethyl-2-(propan-2-ylamino)pentanenitrile?
The canonical SMILES for 2,4-dimethyl-2-(propan-2-ylamino)pentanenitrile is CC(C)CC(C)(C#N)NC(C)C.
What is the InChIKey of 2,4-dimethyl-2-(propan-2-ylamino)pentanenitrile?
The InChIKey is FZVBMXLQYQUJAB-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H20N2/c1-8(2)6-10(5,7-11)12-9(3)4/h8-9,12H,6H2,1-5H3.
What are the key properties of 2,4-dimethyl-2-(propan-2-ylamino)pentanenitrile?
2,4-dimethyl-2-(propan-2-ylamino)pentanenitrile has a molecular weight of 168.28 g/mol, XLogP of 2.31, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2,4-dimethyl-2-(propan-2-ylamino)pentanenitrile is sourced from PubChem (CID 43151541), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).