1-(3-aminocyclohexyl)-N,N-dimethylpyrrolidine-2-carboxamide

C13H25N3O — CID 79468167

IUPAC1-(3-aminocyclohexyl)-N,N-dimethylpyrrolidine-2-carboxamide
SMILESCN(C)C(=O)C1CCCN1C1CCCC(N)C1
InChIInChI=1S/C13H25N3O/c1-15(2)13(17)12-7-4-8-16(12)11-6-3-5-10(14)9-11/h10-12H,3-9,14H2,1-2H3
InChIKeyADVXURXFEKCGHL-UHFFFAOYSA-N
MW239.36 g/mol
LogP0.81
Rot. Bonds2

About 1-(3-aminocyclohexyl)-N,N-dimethylpyrrolidine-2-carboxamide

1-(3-aminocyclohexyl)-N,N-dimethylpyrrolidine-2-carboxamide (PubChem CID 79468167) has the molecular formula C13H25N3O and a molecular weight of 239.36 g/mol. Its IUPAC name is 1-(3-aminocyclohexyl)-N,N-dimethylpyrrolidine-2-carboxamide.

Molecular Properties

Compound Name1-(3-aminocyclohexyl)-N,N-dimethylpyrrolidine-2-carboxamide
PubChem CID79468167
Molecular FormulaC13H25N3O
Molecular Weight239.36 g/mol
Exact Mass239.20
IUPAC Name1-(3-aminocyclohexyl)-N,N-dimethylpyrrolidine-2-carboxamide
SMILESCN(C)C(=O)C1CCCN1C1CCCC(N)C1
InChIInChI=1S/C13H25N3O/c1-15(2)13(17)12-7-4-8-16(12)11-6-3-5-10(14)9-11/h10-12H,3-9,14H2,1-2H3
InChIKeyADVXURXFEKCGHL-UHFFFAOYSA-N
XLogP0.81
TPSA49.57 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500239.36
LogP ≤ 50.81
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 1-(3-aminocyclohexyl)-N,N-dimethylpyrrolidine-2-carboxamide 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

1-(4-aminocyclohexyl)-N,N-dimethylpyrrolidine-2-carboxamide
CID 79468295
(2S)-1-cyclohexyl-N,N-dimethylpiperidine-2-carboxamide
CID 143731377
N,N-dimethyl-1-(4-oxocyclohexyl)pyrrolidine-2-carboxamide
CID 114762051
1-(3-aminocyclopentyl)piperidine-2-carboxamide
CID 79468890
3-(2-propan-2-ylpyrrolidin-1-yl)cyclohexan-1-amine
CID 79468364
2-(dimethylcarbamoyl)pyrrolidine-1-carboxylic acid
CID 89401620
1-[4-[(1S,3R)-3-aminocyclohexyl]piperazin-1-yl]ethanone
CID 169448440
1-cyclobutyl-N-methylpyrrolidine-2-carboxamide
CID 126990833
3-[1-(3-aminocyclohexyl)pyrrolidin-2-yl]propan-1-ol
CID 79469053
ethyl (5S,8aR)-1,2,3,5,6,7,8,8a-octahydroindolizine-5-carboxylate
CID 10965477
N-methoxy-N-methyl-1-piperidin-4-ylpyrrolidine-2-carboxamide
CID 61254068
ethyl 2-(dimethylcarbamoyl)pyrrolidine-1-carboxylate
CID 60700666

Frequently Asked Questions

What is the IUPAC name of 1-(3-aminocyclohexyl)-N,N-dimethylpyrrolidine-2-carboxamide?
The IUPAC name of 1-(3-aminocyclohexyl)-N,N-dimethylpyrrolidine-2-carboxamide (CID 79468167) is 1-(3-aminocyclohexyl)-N,N-dimethylpyrrolidine-2-carboxamide.
What is the SMILES notation for 1-(3-aminocyclohexyl)-N,N-dimethylpyrrolidine-2-carboxamide?
The canonical SMILES for 1-(3-aminocyclohexyl)-N,N-dimethylpyrrolidine-2-carboxamide is CN(C)C(=O)C1CCCN1C1CCCC(N)C1.
What is the InChIKey of 1-(3-aminocyclohexyl)-N,N-dimethylpyrrolidine-2-carboxamide?
The InChIKey is ADVXURXFEKCGHL-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H25N3O/c1-15(2)13(17)12-7-4-8-16(12)11-6-3-5-10(14)9-11/h10-12H,3-9,14H2,1-2H3.
What are the key properties of 1-(3-aminocyclohexyl)-N,N-dimethylpyrrolidine-2-carboxamide?
1-(3-aminocyclohexyl)-N,N-dimethylpyrrolidine-2-carboxamide has a molecular weight of 239.36 g/mol, XLogP of 0.81, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-aminocyclohexyl)-N,N-dimethylpyrrolidine-2-carboxamide is sourced from PubChem (CID 79468167), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).