1-(4-aminocyclohexyl)-N,N-dimethylpyrrolidine-2-carboxamide

C13H25N3O — CID 79468295

IUPAC1-(4-aminocyclohexyl)-N,N-dimethylpyrrolidine-2-carboxamide
SMILESCN(C)C(=O)C1CCCN1C1CCC(N)CC1
InChIInChI=1S/C13H25N3O/c1-15(2)13(17)12-4-3-9-16(12)11-7-5-10(14)6-8-11/h10-12H,3-9,14H2,1-2H3
InChIKeyIXPIEALKGDWPCX-UHFFFAOYSA-N
MW239.36 g/mol
LogP0.81
Rot. Bonds2

About 1-(4-aminocyclohexyl)-N,N-dimethylpyrrolidine-2-carboxamide

1-(4-aminocyclohexyl)-N,N-dimethylpyrrolidine-2-carboxamide (PubChem CID 79468295) has the molecular formula C13H25N3O and a molecular weight of 239.36 g/mol. Its IUPAC name is 1-(4-aminocyclohexyl)-N,N-dimethylpyrrolidine-2-carboxamide.

Molecular Properties

Compound Name1-(4-aminocyclohexyl)-N,N-dimethylpyrrolidine-2-carboxamide
PubChem CID79468295
Molecular FormulaC13H25N3O
Molecular Weight239.36 g/mol
Exact Mass239.20
IUPAC Name1-(4-aminocyclohexyl)-N,N-dimethylpyrrolidine-2-carboxamide
SMILESCN(C)C(=O)C1CCCN1C1CCC(N)CC1
InChIInChI=1S/C13H25N3O/c1-15(2)13(17)12-4-3-9-16(12)11-7-5-10(14)6-8-11/h10-12H,3-9,14H2,1-2H3
InChIKeyIXPIEALKGDWPCX-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-(4-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

Frequently Asked Questions

What is the IUPAC name of 1-(4-aminocyclohexyl)-N,N-dimethylpyrrolidine-2-carboxamide?
The IUPAC name of 1-(4-aminocyclohexyl)-N,N-dimethylpyrrolidine-2-carboxamide (CID 79468295) is 1-(4-aminocyclohexyl)-N,N-dimethylpyrrolidine-2-carboxamide.
What is the SMILES notation for 1-(4-aminocyclohexyl)-N,N-dimethylpyrrolidine-2-carboxamide?
The canonical SMILES for 1-(4-aminocyclohexyl)-N,N-dimethylpyrrolidine-2-carboxamide is CN(C)C(=O)C1CCCN1C1CCC(N)CC1.
What is the InChIKey of 1-(4-aminocyclohexyl)-N,N-dimethylpyrrolidine-2-carboxamide?
The InChIKey is IXPIEALKGDWPCX-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H25N3O/c1-15(2)13(17)12-4-3-9-16(12)11-7-5-10(14)6-8-11/h10-12H,3-9,14H2,1-2H3.
What are the key properties of 1-(4-aminocyclohexyl)-N,N-dimethylpyrrolidine-2-carboxamide?
1-(4-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-(4-aminocyclohexyl)-N,N-dimethylpyrrolidine-2-carboxamide is sourced from PubChem (CID 79468295), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).