2-[bis(2-methylpropyl)amino]propanenitrile

C11H22N2 — CID 21161602

IUPAC2-[bis(2-methylpropyl)amino]propanenitrile
SMILESCC(C)CN(CC(C)C)C(C)C#N
InChIInChI=1S/C11H22N2/c1-9(2)7-13(8-10(3)4)11(5)6-12/h9-11H,7-8H2,1-5H3
InChIKeyHVHPIQMZHZRLSR-UHFFFAOYSA-N
MW182.31 g/mol
LogP2.51
Rot. Bonds5

About 2-[bis(2-methylpropyl)amino]propanenitrile

2-[bis(2-methylpropyl)amino]propanenitrile (PubChem CID 21161602) has the molecular formula C11H22N2 and a molecular weight of 182.31 g/mol. Its IUPAC name is 2-[bis(2-methylpropyl)amino]propanenitrile.

Molecular Properties

Compound Name2-[bis(2-methylpropyl)amino]propanenitrile
PubChem CID21161602
Molecular FormulaC11H22N2
Molecular Weight182.31 g/mol
Exact Mass182.18
IUPAC Name2-[bis(2-methylpropyl)amino]propanenitrile
SMILESCC(C)CN(CC(C)C)C(C)C#N
InChIInChI=1S/C11H22N2/c1-9(2)7-13(8-10(3)4)11(5)6-12/h9-11H,7-8H2,1-5H3
InChIKeyHVHPIQMZHZRLSR-UHFFFAOYSA-N
XLogP2.51
TPSA27.03 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500182.31
LogP ≤ 52.51
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Analyze 2-[bis(2-methylpropyl)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

Frequently Asked Questions

What is the IUPAC name of 2-[bis(2-methylpropyl)amino]propanenitrile?
The IUPAC name of 2-[bis(2-methylpropyl)amino]propanenitrile (CID 21161602) is 2-[bis(2-methylpropyl)amino]propanenitrile.
What is the SMILES notation for 2-[bis(2-methylpropyl)amino]propanenitrile?
The canonical SMILES for 2-[bis(2-methylpropyl)amino]propanenitrile is CC(C)CN(CC(C)C)C(C)C#N.
What is the InChIKey of 2-[bis(2-methylpropyl)amino]propanenitrile?
The InChIKey is HVHPIQMZHZRLSR-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H22N2/c1-9(2)7-13(8-10(3)4)11(5)6-12/h9-11H,7-8H2,1-5H3.
What are the key properties of 2-[bis(2-methylpropyl)amino]propanenitrile?
2-[bis(2-methylpropyl)amino]propanenitrile has a molecular weight of 182.31 g/mol, XLogP of 2.51, 5 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[bis(2-methylpropyl)amino]propanenitrile is sourced from PubChem (CID 21161602), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).