3-[(2,2-dimethylpiperidin-4-yl)amino]-2-methylpropanenitrile

C11H21N3 — CID 164646742

IUPAC3-[(2,2-dimethylpiperidin-4-yl)amino]-2-methylpropanenitrile
SMILESCC(C#N)CNC1CCNC(C)(C)C1
InChIInChI=1S/C11H21N3/c1-9(7-12)8-13-10-4-5-14-11(2,3)6-10/h9-10,13-14H,4-6,8H2,1-3H3
InChIKeyXEWYVFOXKQHWHI-UHFFFAOYSA-N
MW195.31 g/mol
LogP1.27
Rot. Bonds3

About 3-[(2,2-dimethylpiperidin-4-yl)amino]-2-methylpropanenitrile

3-[(2,2-dimethylpiperidin-4-yl)amino]-2-methylpropanenitrile (PubChem CID 164646742) has the molecular formula C11H21N3 and a molecular weight of 195.31 g/mol. Its IUPAC name is 3-[(2,2-dimethylpiperidin-4-yl)amino]-2-methylpropanenitrile.

Molecular Properties

Compound Name3-[(2,2-dimethylpiperidin-4-yl)amino]-2-methylpropanenitrile
PubChem CID164646742
Molecular FormulaC11H21N3
Molecular Weight195.31 g/mol
Exact Mass195.17
IUPAC Name3-[(2,2-dimethylpiperidin-4-yl)amino]-2-methylpropanenitrile
SMILESCC(C#N)CNC1CCNC(C)(C)C1
InChIInChI=1S/C11H21N3/c1-9(7-12)8-13-10-4-5-14-11(2,3)6-10/h9-10,13-14H,4-6,8H2,1-3H3
InChIKeyXEWYVFOXKQHWHI-UHFFFAOYSA-N
XLogP1.27
TPSA47.85 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500195.31
LogP ≤ 51.27
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze 3-[(2,2-dimethylpiperidin-4-yl)amino]-2-methylpropanenitrile 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 3-[(2,2-dimethylpiperidin-4-yl)amino]-2-methylpropanenitrile?
The IUPAC name of 3-[(2,2-dimethylpiperidin-4-yl)amino]-2-methylpropanenitrile (CID 164646742) is 3-[(2,2-dimethylpiperidin-4-yl)amino]-2-methylpropanenitrile.
What is the SMILES notation for 3-[(2,2-dimethylpiperidin-4-yl)amino]-2-methylpropanenitrile?
The canonical SMILES for 3-[(2,2-dimethylpiperidin-4-yl)amino]-2-methylpropanenitrile is CC(C#N)CNC1CCNC(C)(C)C1.
What is the InChIKey of 3-[(2,2-dimethylpiperidin-4-yl)amino]-2-methylpropanenitrile?
The InChIKey is XEWYVFOXKQHWHI-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H21N3/c1-9(7-12)8-13-10-4-5-14-11(2,3)6-10/h9-10,13-14H,4-6,8H2,1-3H3.
What are the key properties of 3-[(2,2-dimethylpiperidin-4-yl)amino]-2-methylpropanenitrile?
3-[(2,2-dimethylpiperidin-4-yl)amino]-2-methylpropanenitrile has a molecular weight of 195.31 g/mol, XLogP of 1.27, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(2,2-dimethylpiperidin-4-yl)amino]-2-methylpropanenitrile is sourced from PubChem (CID 164646742), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).