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

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Related Compounds

n-Butyl-2,2,6,6-tetramethyl-4-piperidinamine
CID 118285
N,N-dimethyl-N'-(2,2,6,6-tetramethylpiperidin-4-yl)propane-1,3-diamine
CID 3018747
1-ethyl-N,3-dimethylpiperidin-4-amine
CID 54595021
3-[(2,2,6,6-Tetramethylpiperidin-4-yl)amino]propanenitrile
CID 2058195
Piperazine-2,5,5-tetracarbonitrile, 3,6-dipropyl-
CID 398330
rac-(3R,4S)-N,N,3-trimethylpiperidin-4-amine
CID 95352639
Dimethyl(2-(piperidin-2-yl)propyl)amine
CID 131251149
N,1-dimethyl-3-(propan-2-yl)piperidin-4-amine
CID 146050352
2,2-Dimethylpiperidine-4-carbonitrile hydrochloride
CID 165691633
1,2,5-Trimethylpiperidin-4-amine
CID 13202197
4-Amino-tetramethylpiperidine
CID 18424017
3-Cyano-4-aminopiperidine
CID 21761435

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).