(2S)-N-(2,4-dimethylcyclohexyl)pyrrolidine-2-carboxamide

C13H24N2O — CID 63997751

IUPAC(2S)-N-(2,4-dimethylcyclohexyl)pyrrolidine-2-carboxamide
SMILESCC1CCC(NC(=O)[C@@H]2CCCN2)C(C)C1
InChIInChI=1S/C13H24N2O/c1-9-5-6-11(10(2)8-9)15-13(16)12-4-3-7-14-12/h9-12,14H,3-8H2,1-2H3,(H,15,16)/t9?,10?,11?,12-/m0/s1
InChIKeyNWWBCAVANLNWQJ-ROAFRPBMSA-N
MW224.35 g/mol
LogP1.68
Rot. Bonds2

About (2S)-N-(2,4-dimethylcyclohexyl)pyrrolidine-2-carboxamide

(2S)-N-(2,4-dimethylcyclohexyl)pyrrolidine-2-carboxamide (PubChem CID 63997751) has the molecular formula C13H24N2O and a molecular weight of 224.35 g/mol. Its IUPAC name is (2S)-N-(2,4-dimethylcyclohexyl)pyrrolidine-2-carboxamide.

Molecular Properties

Compound Name(2S)-N-(2,4-dimethylcyclohexyl)pyrrolidine-2-carboxamide
PubChem CID63997751
Molecular FormulaC13H24N2O
Molecular Weight224.35 g/mol
Exact Mass224.19
IUPAC Name(2S)-N-(2,4-dimethylcyclohexyl)pyrrolidine-2-carboxamide
SMILESCC1CCC(NC(=O)[C@@H]2CCCN2)C(C)C1
InChIInChI=1S/C13H24N2O/c1-9-5-6-11(10(2)8-9)15-13(16)12-4-3-7-14-12/h9-12,14H,3-8H2,1-2H3,(H,15,16)/t9?,10?,11?,12-/m0/s1
InChIKeyNWWBCAVANLNWQJ-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

N-(2,4-dimethylcyclohexyl)azepane-2-carboxamide
CID 64570961
N-(2-methylcyclopentyl)pyrrolidine-2-carboxamide
CID 63281892
N-(2-methylcyclohexyl)azepane-2-carboxamide
CID 64564160
N-(4-methylcyclohexyl)pyrrolidine-2-carboxamide
CID 18072889
(2R)-N-(4-methyloxolan-3-yl)pyrrolidine-2-carboxamide
CID 164659167
(2S)-N-(3,5-dimethylcyclohexyl)pyrrolidine-2-carboxamide
CID 64733303
N-(2-cyclopropylcyclopropyl)pyrrolidine-2-carboxamide
CID 130748065
(2S,4S)-N-(2,4-dimethylcyclohexyl)-2-methylpiperidine-4-carboxamide;hydrochloride
CID 120632807
(2R)-N-(3,5-dimethylcyclohexyl)piperidine-2-carboxamide
CID 103811701
(2S)-N-[(3-methylcyclopentyl)methyl]pyrrolidine-2-carboxamide
CID 107413261
N-(2,3-dimethylcyclohexyl)azepane-2-carboxamide
CID 64562992
N-(7-oxabicyclo[2.2.1]heptan-2-yl)pyrrolidine-2-carboxamide;hydrochloride
CID 119327690

Frequently Asked Questions

What is the IUPAC name of (2S)-N-(2,4-dimethylcyclohexyl)pyrrolidine-2-carboxamide?
The IUPAC name of (2S)-N-(2,4-dimethylcyclohexyl)pyrrolidine-2-carboxamide (CID 63997751) is (2S)-N-(2,4-dimethylcyclohexyl)pyrrolidine-2-carboxamide.
What is the SMILES notation for (2S)-N-(2,4-dimethylcyclohexyl)pyrrolidine-2-carboxamide?
The canonical SMILES for (2S)-N-(2,4-dimethylcyclohexyl)pyrrolidine-2-carboxamide is CC1CCC(NC(=O)[C@@H]2CCCN2)C(C)C1.
What is the InChIKey of (2S)-N-(2,4-dimethylcyclohexyl)pyrrolidine-2-carboxamide?
The InChIKey is NWWBCAVANLNWQJ-ROAFRPBMSA-N. The full InChI is InChI=1S/C13H24N2O/c1-9-5-6-11(10(2)8-9)15-13(16)12-4-3-7-14-12/h9-12,14H,3-8H2,1-2H3,(H,15,16)/t9?,10?,11?,12-/m0/s1.
What are the key properties of (2S)-N-(2,4-dimethylcyclohexyl)pyrrolidine-2-carboxamide?
(2S)-N-(2,4-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-(2,4-dimethylcyclohexyl)pyrrolidine-2-carboxamide is sourced from PubChem (CID 63997751), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).