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

C13H25N3O — CID 114173382

IUPAC1-(3-aminocyclohexyl)-N,3-dimethylpyrrolidine-3-carboxamide
SMILESCNC(=O)C1(C)CCN(C2CCCC(N)C2)C1
InChIInChI=1S/C13H25N3O/c1-13(12(17)15-2)6-7-16(9-13)11-5-3-4-10(14)8-11/h10-11H,3-9,14H2,1-2H3,(H,15,17)
InChIKeyDYARPWQAEWRQRV-UHFFFAOYSA-N
MW239.36 g/mol
LogP0.71
Rot. Bonds2

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

1-(3-aminocyclohexyl)-N,3-dimethylpyrrolidine-3-carboxamide (PubChem CID 114173382) has the molecular formula C13H25N3O and a molecular weight of 239.36 g/mol. Its IUPAC name is 1-(3-aminocyclohexyl)-N,3-dimethylpyrrolidine-3-carboxamide.

Molecular Properties

Compound Name1-(3-aminocyclohexyl)-N,3-dimethylpyrrolidine-3-carboxamide
PubChem CID114173382
Molecular FormulaC13H25N3O
Molecular Weight239.36 g/mol
Exact Mass239.20
IUPAC Name1-(3-aminocyclohexyl)-N,3-dimethylpyrrolidine-3-carboxamide
SMILESCNC(=O)C1(C)CCN(C2CCCC(N)C2)C1
InChIInChI=1S/C13H25N3O/c1-13(12(17)15-2)6-7-16(9-13)11-5-3-4-10(14)8-11/h10-11H,3-9,14H2,1-2H3,(H,15,17)
InChIKeyDYARPWQAEWRQRV-UHFFFAOYSA-N
XLogP0.71
TPSA58.36 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500239.36
LogP ≤ 50.71
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N,3-dimethyl-1-(4-oxocyclohexyl)pyrrolidine-3-carboxamide
CID 106322709
1-[4-[(1S,3R)-3-aminocyclohexyl]piperazin-1-yl]ethanone
CID 169448440
cis-(1S,2R)-2-[3-methyl-3-(methylcarbamoyl)pyrrolidine-1-carbonyl]cyclopentane-1-carboxylic acid
CID 106317939
1-(2-aminoacetyl)-N,3-dimethylpyrrolidine-3-carboxamide
CID 106318155
cis-(1S,2R)-2-[3-methyl-3-(methylcarbamoyl)pyrrolidine-1-carbonyl]cyclohexane-1-carboxylic acid
CID 106317932
1-(3-amino-2,2,3-trimethylbutanoyl)-N,3-dimethylpyrrolidine-3-carboxamide
CID 106318267
N,3-dimethyl-1-[2-(methylamino)ethyl]pyrrolidine-3-carboxamide
CID 106318104
N,3-dimethyl-1-(2-piperidin-3-ylacetyl)pyrrolidine-3-carboxamide
CID 106318342
3-(3,3-dimethylpiperidin-1-yl)cyclobutan-1-amine
CID 80561996
1-(3-hydrazinyl-3-oxopropyl)-N,3-dimethylpyrrolidine-3-carboxamide
CID 106322049
2-amino-3-[3-methyl-3-(methylcarbamoyl)pyrrolidin-1-yl]propanoic acid
CID 106318954
2-cyclopropyl-2-[3-methyl-3-(methylcarbamoyl)pyrrolidin-1-yl]acetic acid
CID 106318948

Frequently Asked Questions

What is the IUPAC name of 1-(3-aminocyclohexyl)-N,3-dimethylpyrrolidine-3-carboxamide?
The IUPAC name of 1-(3-aminocyclohexyl)-N,3-dimethylpyrrolidine-3-carboxamide (CID 114173382) is 1-(3-aminocyclohexyl)-N,3-dimethylpyrrolidine-3-carboxamide.
What is the SMILES notation for 1-(3-aminocyclohexyl)-N,3-dimethylpyrrolidine-3-carboxamide?
The canonical SMILES for 1-(3-aminocyclohexyl)-N,3-dimethylpyrrolidine-3-carboxamide is CNC(=O)C1(C)CCN(C2CCCC(N)C2)C1.
What is the InChIKey of 1-(3-aminocyclohexyl)-N,3-dimethylpyrrolidine-3-carboxamide?
The InChIKey is DYARPWQAEWRQRV-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H25N3O/c1-13(12(17)15-2)6-7-16(9-13)11-5-3-4-10(14)8-11/h10-11H,3-9,14H2,1-2H3,(H,15,17).
What are the key properties of 1-(3-aminocyclohexyl)-N,3-dimethylpyrrolidine-3-carboxamide?
1-(3-aminocyclohexyl)-N,3-dimethylpyrrolidine-3-carboxamide has a molecular weight of 239.36 g/mol, XLogP of 0.71, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-aminocyclohexyl)-N,3-dimethylpyrrolidine-3-carboxamide is sourced from PubChem (CID 114173382), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).