2-[di(propan-2-yl)amino]propanenitrile

C9H18N2 — CID 10997260

IUPAC2-[di(propan-2-yl)amino]propanenitrile
SMILESCC(C)N(C(C)C)C(C)C#N
InChIInChI=1S/C9H18N2/c1-7(2)11(8(3)4)9(5)6-10/h7-9H,1-5H3
InChIKeyABKOJKZYEMKJQN-UHFFFAOYSA-N
MW154.26 g/mol
LogP2.02
Rot. Bonds3

About 2-[di(propan-2-yl)amino]propanenitrile

2-[di(propan-2-yl)amino]propanenitrile (PubChem CID 10997260) has the molecular formula C9H18N2 and a molecular weight of 154.26 g/mol. Its IUPAC name is 2-[di(propan-2-yl)amino]propanenitrile.

Molecular Properties

Compound Name2-[di(propan-2-yl)amino]propanenitrile
PubChem CID10997260
Molecular FormulaC9H18N2
Molecular Weight154.26 g/mol
Exact Mass154.15
IUPAC Name2-[di(propan-2-yl)amino]propanenitrile
SMILESCC(C)N(C(C)C)C(C)C#N
InChIInChI=1S/C9H18N2/c1-7(2)11(8(3)4)9(5)6-10/h7-9H,1-5H3
InChIKeyABKOJKZYEMKJQN-UHFFFAOYSA-N
XLogP2.02
TPSA27.03 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500154.26
LogP ≤ 52.02
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Analyze 2-[di(propan-2-yl)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-[di(propan-2-yl)amino]propanenitrile?
The IUPAC name of 2-[di(propan-2-yl)amino]propanenitrile (CID 10997260) is 2-[di(propan-2-yl)amino]propanenitrile.
What is the SMILES notation for 2-[di(propan-2-yl)amino]propanenitrile?
The canonical SMILES for 2-[di(propan-2-yl)amino]propanenitrile is CC(C)N(C(C)C)C(C)C#N.
What is the InChIKey of 2-[di(propan-2-yl)amino]propanenitrile?
The InChIKey is ABKOJKZYEMKJQN-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H18N2/c1-7(2)11(8(3)4)9(5)6-10/h7-9H,1-5H3.
What are the key properties of 2-[di(propan-2-yl)amino]propanenitrile?
2-[di(propan-2-yl)amino]propanenitrile has a molecular weight of 154.26 g/mol, XLogP of 2.02, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[di(propan-2-yl)amino]propanenitrile is sourced from PubChem (CID 10997260), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).