(2S)-N-methyl-N-(3-methylcyclohexyl)pyrrolidine-2-carboxamide

C13H24N2O — CID 61447107

IUPAC(2S)-N-methyl-N-(3-methylcyclohexyl)pyrrolidine-2-carboxamide
SMILESCC1CCCC(N(C)C(=O)[C@@H]2CCCN2)C1
InChIInChI=1S/C13H24N2O/c1-10-5-3-6-11(9-10)15(2)13(16)12-7-4-8-14-12/h10-12,14H,3-9H2,1-2H3/t10?,11?,12-/m0/s1
InChIKeyZJVXDIVOCZCBJF-MCIGGMRASA-N
MW224.35 g/mol
LogP1.78
Rot. Bonds2

About (2S)-N-methyl-N-(3-methylcyclohexyl)pyrrolidine-2-carboxamide

(2S)-N-methyl-N-(3-methylcyclohexyl)pyrrolidine-2-carboxamide (PubChem CID 61447107) has the molecular formula C13H24N2O and a molecular weight of 224.35 g/mol. Its IUPAC name is (2S)-N-methyl-N-(3-methylcyclohexyl)pyrrolidine-2-carboxamide.

Molecular Properties

Compound Name(2S)-N-methyl-N-(3-methylcyclohexyl)pyrrolidine-2-carboxamide
PubChem CID61447107
Molecular FormulaC13H24N2O
Molecular Weight224.35 g/mol
Exact Mass224.19
IUPAC Name(2S)-N-methyl-N-(3-methylcyclohexyl)pyrrolidine-2-carboxamide
SMILESCC1CCCC(N(C)C(=O)[C@@H]2CCCN2)C1
InChIInChI=1S/C13H24N2O/c1-10-5-3-6-11(9-10)15(2)13(16)12-7-4-8-14-12/h10-12,14H,3-9H2,1-2H3/t10?,11?,12-/m0/s1
InChIKeyZJVXDIVOCZCBJF-MCIGGMRASA-N
XLogP1.78
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500224.35
LogP ≤ 51.78
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

(2S)-N-cyclohexyl-N-methylpyrrolidine-2-carboxamide
CID 23520170
(2S)-N-[(2S,4R)-1,2-dimethylpiperidin-4-yl]-N-methylpyrrolidine-2-carboxamide
CID 124693314
N-cyclobutyl-N-methylazetidine-2-carboxamide
CID 130908967
(2R)-N-methyl-N-(oxan-4-yl)pyrrolidine-2-carboxamide
CID 93224848
(2R)-N-[(2R,4S)-1,2-dimethylpiperidin-4-yl]-N-methylpiperidine-2-carboxamide
CID 125119897
N-methyl-N-(3-methylcyclohexyl)piperidine-4-carboxamide;hydrochloride
CID 119285985
N-methyl-N-(1-methylpiperidin-3-yl)pyrrolidine-2-carboxamide
CID 62546250
N,N-dimethylpyrrolidine-2-carboxamide
CID 14282308
(2S)-N-(1,1-dioxothiolan-3-yl)-N-methylpyrrolidine-2-carboxamide
CID 22691367
N-methyl-N-[(3S)-3-methylcyclohexyl]acetamide
CID 169132453
N-methyl-N-(thian-4-yl)piperidine-2-carboxamide
CID 121203607
N-methyl-N-(oxan-4-yl)piperidine-2-carboxamide
CID 43611075

Frequently Asked Questions

What is the IUPAC name of (2S)-N-methyl-N-(3-methylcyclohexyl)pyrrolidine-2-carboxamide?
The IUPAC name of (2S)-N-methyl-N-(3-methylcyclohexyl)pyrrolidine-2-carboxamide (CID 61447107) is (2S)-N-methyl-N-(3-methylcyclohexyl)pyrrolidine-2-carboxamide.
What is the SMILES notation for (2S)-N-methyl-N-(3-methylcyclohexyl)pyrrolidine-2-carboxamide?
The canonical SMILES for (2S)-N-methyl-N-(3-methylcyclohexyl)pyrrolidine-2-carboxamide is CC1CCCC(N(C)C(=O)[C@@H]2CCCN2)C1.
What is the InChIKey of (2S)-N-methyl-N-(3-methylcyclohexyl)pyrrolidine-2-carboxamide?
The InChIKey is ZJVXDIVOCZCBJF-MCIGGMRASA-N. The full InChI is InChI=1S/C13H24N2O/c1-10-5-3-6-11(9-10)15(2)13(16)12-7-4-8-14-12/h10-12,14H,3-9H2,1-2H3/t10?,11?,12-/m0/s1.
What are the key properties of (2S)-N-methyl-N-(3-methylcyclohexyl)pyrrolidine-2-carboxamide?
(2S)-N-methyl-N-(3-methylcyclohexyl)pyrrolidine-2-carboxamide has a molecular weight of 224.35 g/mol, XLogP of 1.78, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-N-methyl-N-(3-methylcyclohexyl)pyrrolidine-2-carboxamide is sourced from PubChem (CID 61447107), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).