2-methyl-6-(1-piperidin-2-ylpropan-2-ylamino)benzonitrile

C16H23N3 — CID 107803271

IUPAC2-methyl-6-(1-piperidin-2-ylpropan-2-ylamino)benzonitrile
SMILESCc1cccc(NC(C)CC2CCCCN2)c1C#N
InChIInChI=1S/C16H23N3/c1-12-6-5-8-16(15(12)11-17)19-13(2)10-14-7-3-4-9-18-14/h5-6,8,13-14,18-19H,3-4,7,9-10H2,1-2H3
InChIKeyRFGXGUZOUXOZBZ-UHFFFAOYSA-N
MW257.38 g/mol
LogP3.20
Rot. Bonds4

About 2-methyl-6-(1-piperidin-2-ylpropan-2-ylamino)benzonitrile

2-methyl-6-(1-piperidin-2-ylpropan-2-ylamino)benzonitrile (PubChem CID 107803271) has the molecular formula C16H23N3 and a molecular weight of 257.38 g/mol. Its IUPAC name is 2-methyl-6-(1-piperidin-2-ylpropan-2-ylamino)benzonitrile.

Molecular Properties

Compound Name2-methyl-6-(1-piperidin-2-ylpropan-2-ylamino)benzonitrile
PubChem CID107803271
Molecular FormulaC16H23N3
Molecular Weight257.38 g/mol
Exact Mass257.19
IUPAC Name2-methyl-6-(1-piperidin-2-ylpropan-2-ylamino)benzonitrile
SMILESCc1cccc(NC(C)CC2CCCCN2)c1C#N
InChIInChI=1S/C16H23N3/c1-12-6-5-8-16(15(12)11-17)19-13(2)10-14-7-3-4-9-18-14/h5-6,8,13-14,18-19H,3-4,7,9-10H2,1-2H3
InChIKeyRFGXGUZOUXOZBZ-UHFFFAOYSA-N
XLogP3.20
TPSA47.85 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500257.38
LogP ≤ 53.20
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze 2-methyl-6-(1-piperidin-2-ylpropan-2-ylamino)benzonitrile with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N-[1-(azepan-2-yl)propan-2-yl]naphthalen-1-amine
CID 79540649
N-[1-(azepan-2-yl)propan-2-yl]-5,6,7,8-tetrahydronaphthalen-1-amine
CID 79540760
2-fluoro-N-(1-piperidin-2-ylpropan-2-yl)aniline
CID 79548792
N-[1-(azepan-2-yl)propan-2-yl]-3-chloro-2-fluoroaniline
CID 79560372
2-methyl-3-nitro-N-(1-piperidin-2-ylpropan-2-yl)aniline
CID 79539824
1-[2-[1-(azepan-2-yl)propan-2-ylamino]phenyl]ethanol
CID 79560809
N-(1-piperidin-2-ylpropan-2-yl)quinolin-8-amine
CID 79549224
N-[1-(azepan-2-yl)propan-2-yl]-2-(difluoromethylsulfanyl)aniline
CID 79540761
N-[1-(azepan-2-yl)propan-2-yl]-2-(methoxymethyl)aniline
CID 79559708
2-bromo-N-(1-pyrrolidin-2-ylpropan-2-yl)aniline
CID 79540004
2-(2-methylpropoxy)-N-(1-piperidin-2-ylpropan-2-yl)aniline
CID 79539102
8-methyl-N-(1-piperidin-2-ylpropan-2-yl)quinolin-5-amine
CID 79537260

Frequently Asked Questions

What is the IUPAC name of 2-methyl-6-(1-piperidin-2-ylpropan-2-ylamino)benzonitrile?
The IUPAC name of 2-methyl-6-(1-piperidin-2-ylpropan-2-ylamino)benzonitrile (CID 107803271) is 2-methyl-6-(1-piperidin-2-ylpropan-2-ylamino)benzonitrile.
What is the SMILES notation for 2-methyl-6-(1-piperidin-2-ylpropan-2-ylamino)benzonitrile?
The canonical SMILES for 2-methyl-6-(1-piperidin-2-ylpropan-2-ylamino)benzonitrile is Cc1cccc(NC(C)CC2CCCCN2)c1C#N.
What is the InChIKey of 2-methyl-6-(1-piperidin-2-ylpropan-2-ylamino)benzonitrile?
The InChIKey is RFGXGUZOUXOZBZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H23N3/c1-12-6-5-8-16(15(12)11-17)19-13(2)10-14-7-3-4-9-18-14/h5-6,8,13-14,18-19H,3-4,7,9-10H2,1-2H3.
What are the key properties of 2-methyl-6-(1-piperidin-2-ylpropan-2-ylamino)benzonitrile?
2-methyl-6-(1-piperidin-2-ylpropan-2-ylamino)benzonitrile has a molecular weight of 257.38 g/mol, XLogP of 3.20, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-6-(1-piperidin-2-ylpropan-2-ylamino)benzonitrile is sourced from PubChem (CID 107803271), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).