(2S)-N-(3,5-dimethylcyclohexyl)pyrrolidine-2-carboxamide

C13H24N2O — CID 64733303

IUPAC(2S)-N-(3,5-dimethylcyclohexyl)pyrrolidine-2-carboxamide
SMILESCC1CC(C)CC(NC(=O)[C@@H]2CCCN2)C1
InChIInChI=1S/C13H24N2O/c1-9-6-10(2)8-11(7-9)15-13(16)12-4-3-5-14-12/h9-12,14H,3-8H2,1-2H3,(H,15,16)/t9?,10?,11?,12-/m0/s1
InChIKeySZLPJMYBUXSGSM-ROAFRPBMSA-N
MW224.35 g/mol
LogP1.68
Rot. Bonds2

About (2S)-N-(3,5-dimethylcyclohexyl)pyrrolidine-2-carboxamide

(2S)-N-(3,5-dimethylcyclohexyl)pyrrolidine-2-carboxamide (PubChem CID 64733303) has the molecular formula C13H24N2O and a molecular weight of 224.35 g/mol. Its IUPAC name is (2S)-N-(3,5-dimethylcyclohexyl)pyrrolidine-2-carboxamide.

Molecular Properties

Compound Name(2S)-N-(3,5-dimethylcyclohexyl)pyrrolidine-2-carboxamide
PubChem CID64733303
Molecular FormulaC13H24N2O
Molecular Weight224.35 g/mol
Exact Mass224.19
IUPAC Name(2S)-N-(3,5-dimethylcyclohexyl)pyrrolidine-2-carboxamide
SMILESCC1CC(C)CC(NC(=O)[C@@H]2CCCN2)C1
InChIInChI=1S/C13H24N2O/c1-9-6-10(2)8-11(7-9)15-13(16)12-4-3-5-14-12/h9-12,14H,3-8H2,1-2H3,(H,15,16)/t9?,10?,11?,12-/m0/s1
InChIKeySZLPJMYBUXSGSM-ROAFRPBMSA-N
XLogP1.68
TPSA41.13 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500224.35
LogP ≤ 51.68
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

(2R)-N-(3,5-dimethylcyclohexyl)piperidine-2-carboxamide
CID 103811701
N-(4-methylcyclohexyl)pyrrolidine-2-carboxamide
CID 18072889
(2S)-N-cyclopropylpyrrolidine-2-carboxamide;hydrochloride
CID 66855012
N-(3,5-dimethylcyclohexyl)-4-ethylpiperidine-2-carboxamide
CID 114429133
(2S)-N-(2,4-dimethylcyclohexyl)pyrrolidine-2-carboxamide
CID 63997751
(2S)-N-cyclopent-3-en-1-ylpyrrolidine-2-carboxamide
CID 104863890
(2S)-N-pyrrolidin-3-ylpyrrolidine-2-carboxamide
CID 130690073
N-(3-hydroxycyclohexyl)pyrrolidine-2-carboxamide
CID 43696094
N-cyclopentylazepane-2-carboxamide
CID 64564743
N-[3-(dimethylamino)cyclohexyl]pyrrolidine-2-carboxamide
CID 119889097
(2S)-N-piperidin-3-ylpyrrolidine-2-carboxamide
CID 89303395
N-(thian-4-yl)pyrrolidine-2-carboxamide
CID 115626530

Frequently Asked Questions

What is the IUPAC name of (2S)-N-(3,5-dimethylcyclohexyl)pyrrolidine-2-carboxamide?
The IUPAC name of (2S)-N-(3,5-dimethylcyclohexyl)pyrrolidine-2-carboxamide (CID 64733303) is (2S)-N-(3,5-dimethylcyclohexyl)pyrrolidine-2-carboxamide.
What is the SMILES notation for (2S)-N-(3,5-dimethylcyclohexyl)pyrrolidine-2-carboxamide?
The canonical SMILES for (2S)-N-(3,5-dimethylcyclohexyl)pyrrolidine-2-carboxamide is CC1CC(C)CC(NC(=O)[C@@H]2CCCN2)C1.
What is the InChIKey of (2S)-N-(3,5-dimethylcyclohexyl)pyrrolidine-2-carboxamide?
The InChIKey is SZLPJMYBUXSGSM-ROAFRPBMSA-N. The full InChI is InChI=1S/C13H24N2O/c1-9-6-10(2)8-11(7-9)15-13(16)12-4-3-5-14-12/h9-12,14H,3-8H2,1-2H3,(H,15,16)/t9?,10?,11?,12-/m0/s1.
What are the key properties of (2S)-N-(3,5-dimethylcyclohexyl)pyrrolidine-2-carboxamide?
(2S)-N-(3,5-dimethylcyclohexyl)pyrrolidine-2-carboxamide has a molecular weight of 224.35 g/mol, XLogP of 1.68, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-N-(3,5-dimethylcyclohexyl)pyrrolidine-2-carboxamide is sourced from PubChem (CID 64733303), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).