2,2-dimethyl-5-[3-(propylaminomethyl)piperidin-1-yl]pentanenitrile

C16H31N3 — CID 65254674

IUPAC2,2-dimethyl-5-[3-(propylaminomethyl)piperidin-1-yl]pentanenitrile
SMILESCCCNCC1CCCN(CCCC(C)(C)C#N)C1
InChIInChI=1S/C16H31N3/c1-4-9-18-12-15-7-5-10-19(13-15)11-6-8-16(2,3)14-17/h15,18H,4-13H2,1-3H3
InChIKeyQGLPSOGMYOMIDJ-UHFFFAOYSA-N
MW265.44 g/mol
LogP3.03
Rot. Bonds8

About 2,2-dimethyl-5-[3-(propylaminomethyl)piperidin-1-yl]pentanenitrile

2,2-dimethyl-5-[3-(propylaminomethyl)piperidin-1-yl]pentanenitrile (PubChem CID 65254674) has the molecular formula C16H31N3 and a molecular weight of 265.44 g/mol. Its IUPAC name is 2,2-dimethyl-5-[3-(propylaminomethyl)piperidin-1-yl]pentanenitrile.

Molecular Properties

Compound Name2,2-dimethyl-5-[3-(propylaminomethyl)piperidin-1-yl]pentanenitrile
PubChem CID65254674
Molecular FormulaC16H31N3
Molecular Weight265.44 g/mol
Exact Mass265.25
IUPAC Name2,2-dimethyl-5-[3-(propylaminomethyl)piperidin-1-yl]pentanenitrile
SMILESCCCNCC1CCCN(CCCC(C)(C)C#N)C1
InChIInChI=1S/C16H31N3/c1-4-9-18-12-15-7-5-10-19(13-15)11-6-8-16(2,3)14-17/h15,18H,4-13H2,1-3H3
InChIKeyQGLPSOGMYOMIDJ-UHFFFAOYSA-N
XLogP3.03
TPSA39.06 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.44
LogP ≤ 53.03
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

Analyze 2,2-dimethyl-5-[3-(propylaminomethyl)piperidin-1-yl]pentanenitrile 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

2,2-dimethyl-4-[3-(propylaminomethyl)piperidin-1-yl]butanenitrile
CID 65252040
N-[[1-(3-pyrrolidin-1-ylpropyl)piperidin-3-yl]methyl]propan-1-amine
CID 62582031
2-[1-(4-cyano-4-methylpentyl)piperidin-3-yl]acetic acid
CID 65256104
4-[3-[(2-methoxyethylamino)methyl]piperidin-1-yl]-2,2-dimethylbutanenitrile
CID 65251196
N-[(1-decylpiperidin-3-yl)methyl]propan-1-amine
CID 63528370
2,2-dimethyl-5-[(1-methylpyrrolidin-3-yl)methylamino]pentanenitrile
CID 65254297
5-(4-ethylazepan-1-yl)-2,2-dimethylpentanenitrile
CID 65257368
N-methyl-4-[3-(propylaminomethyl)piperidin-1-yl]butanamide
CID 63890612
N-[[1-(2-methoxyethyl)piperidin-3-yl]methyl]propan-1-amine
CID 62581675
2-[1-(3-cyano-3-methylbutyl)piperidin-3-yl]acetic acid
CID 65250925
methyl 1-(4-cyano-4-methylpentyl)piperidine-3-carboxylate
CID 79421855
5-[(3S)-3-aminopyrrolidin-1-yl]-2,2-dimethylpentanenitrile
CID 115302336

Frequently Asked Questions

What is the IUPAC name of 2,2-dimethyl-5-[3-(propylaminomethyl)piperidin-1-yl]pentanenitrile?
The IUPAC name of 2,2-dimethyl-5-[3-(propylaminomethyl)piperidin-1-yl]pentanenitrile (CID 65254674) is 2,2-dimethyl-5-[3-(propylaminomethyl)piperidin-1-yl]pentanenitrile.
What is the SMILES notation for 2,2-dimethyl-5-[3-(propylaminomethyl)piperidin-1-yl]pentanenitrile?
The canonical SMILES for 2,2-dimethyl-5-[3-(propylaminomethyl)piperidin-1-yl]pentanenitrile is CCCNCC1CCCN(CCCC(C)(C)C#N)C1.
What is the InChIKey of 2,2-dimethyl-5-[3-(propylaminomethyl)piperidin-1-yl]pentanenitrile?
The InChIKey is QGLPSOGMYOMIDJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H31N3/c1-4-9-18-12-15-7-5-10-19(13-15)11-6-8-16(2,3)14-17/h15,18H,4-13H2,1-3H3.
What are the key properties of 2,2-dimethyl-5-[3-(propylaminomethyl)piperidin-1-yl]pentanenitrile?
2,2-dimethyl-5-[3-(propylaminomethyl)piperidin-1-yl]pentanenitrile has a molecular weight of 265.44 g/mol, XLogP of 3.03, 8 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2,2-dimethyl-5-[3-(propylaminomethyl)piperidin-1-yl]pentanenitrile is sourced from PubChem (CID 65254674), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).