N-[3-(dimethylamino)cyclohexyl]pyrrolidine-2-carboxamide

C13H25N3O — CID 119889097

IUPACN-[3-(dimethylamino)cyclohexyl]pyrrolidine-2-carboxamide
SMILESCN(C)C1CCCC(NC(=O)C2CCCN2)C1
InChIInChI=1S/C13H25N3O/c1-16(2)11-6-3-5-10(9-11)15-13(17)12-7-4-8-14-12/h10-12,14H,3-9H2,1-2H3,(H,15,17)
InChIKeyFOTSMPRDSNGABZ-UHFFFAOYSA-N
MW239.36 g/mol
LogP0.73
Rot. Bonds3

About N-[3-(dimethylamino)cyclohexyl]pyrrolidine-2-carboxamide

N-[3-(dimethylamino)cyclohexyl]pyrrolidine-2-carboxamide (PubChem CID 119889097) has the molecular formula C13H25N3O and a molecular weight of 239.36 g/mol. Its IUPAC name is N-[3-(dimethylamino)cyclohexyl]pyrrolidine-2-carboxamide.

Molecular Properties

Compound NameN-[3-(dimethylamino)cyclohexyl]pyrrolidine-2-carboxamide
PubChem CID119889097
Molecular FormulaC13H25N3O
Molecular Weight239.36 g/mol
Exact Mass239.20
IUPAC NameN-[3-(dimethylamino)cyclohexyl]pyrrolidine-2-carboxamide
SMILESCN(C)C1CCCC(NC(=O)C2CCCN2)C1
InChIInChI=1S/C13H25N3O/c1-16(2)11-6-3-5-10(9-11)15-13(17)12-7-4-8-14-12/h10-12,14H,3-9H2,1-2H3,(H,15,17)
InChIKeyFOTSMPRDSNGABZ-UHFFFAOYSA-N
XLogP0.73
TPSA44.37 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500239.36
LogP ≤ 50.73
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-(3-hydroxycyclohexyl)pyrrolidine-2-carboxamide
CID 43696094
N-(3-propan-2-ylcyclohexyl)pyrrolidine-2-carboxamide;hydrochloride
CID 119319042
(2S)-N-(3-methylsulfanylcyclohexyl)pyrrolidine-2-carboxamide
CID 103797414
(2S)-N-cyclopropylpyrrolidine-2-carboxamide;hydrochloride
CID 66855012
(2S)-N-(3,5-dimethylcyclohexyl)pyrrolidine-2-carboxamide
CID 64733303
N-(3-methylsulfanylcyclohexyl)piperidine-2-carboxamide
CID 103797395
N-cyclopentylazepane-2-carboxamide
CID 64564743
N-(4-methylcyclohexyl)pyrrolidine-2-carboxamide
CID 18072889
(2S)-N-piperidin-3-ylpyrrolidine-2-carboxamide
CID 89303395
N-(thian-4-yl)pyrrolidine-2-carboxamide
CID 115626530
(2S)-N-cyclopent-3-en-1-ylpyrrolidine-2-carboxamide
CID 104863890
(2S)-N-pyrrolidin-3-ylpyrrolidine-2-carboxamide
CID 130690073

Frequently Asked Questions

What is the IUPAC name of N-[3-(dimethylamino)cyclohexyl]pyrrolidine-2-carboxamide?
The IUPAC name of N-[3-(dimethylamino)cyclohexyl]pyrrolidine-2-carboxamide (CID 119889097) is N-[3-(dimethylamino)cyclohexyl]pyrrolidine-2-carboxamide.
What is the SMILES notation for N-[3-(dimethylamino)cyclohexyl]pyrrolidine-2-carboxamide?
The canonical SMILES for N-[3-(dimethylamino)cyclohexyl]pyrrolidine-2-carboxamide is CN(C)C1CCCC(NC(=O)C2CCCN2)C1.
What is the InChIKey of N-[3-(dimethylamino)cyclohexyl]pyrrolidine-2-carboxamide?
The InChIKey is FOTSMPRDSNGABZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H25N3O/c1-16(2)11-6-3-5-10(9-11)15-13(17)12-7-4-8-14-12/h10-12,14H,3-9H2,1-2H3,(H,15,17).
What are the key properties of N-[3-(dimethylamino)cyclohexyl]pyrrolidine-2-carboxamide?
N-[3-(dimethylamino)cyclohexyl]pyrrolidine-2-carboxamide has a molecular weight of 239.36 g/mol, XLogP of 0.73, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-(dimethylamino)cyclohexyl]pyrrolidine-2-carboxamide is sourced from PubChem (CID 119889097), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).