3-methyl-N-(4-methylcyclohexyl)pyrrolidine-3-carboxamide;hydrochloride

C13H25ClN2O — CID 119779385

IUPAC3-methyl-N-(4-methylcyclohexyl)pyrrolidine-3-carboxamide;hydrochloride
SMILESCC1CCC(NC(=O)C2(C)CCNC2)CC1.Cl
InChIInChI=1S/C13H24N2O.ClH/c1-10-3-5-11(6-4-10)15-12(16)13(2)7-8-14-9-13;/h10-11,14H,3-9H2,1-2H3,(H,15,16);1H
InChIKeyAWNLMWHROZPLFB-UHFFFAOYSA-N
MW260.81 g/mol
LogP2.10
Rot. Bonds2

About 3-methyl-N-(4-methylcyclohexyl)pyrrolidine-3-carboxamide;hydrochloride

3-methyl-N-(4-methylcyclohexyl)pyrrolidine-3-carboxamide;hydrochloride (PubChem CID 119779385) has the molecular formula C13H25ClN2O and a molecular weight of 260.81 g/mol. Its IUPAC name is 3-methyl-N-(4-methylcyclohexyl)pyrrolidine-3-carboxamide;hydrochloride.

Molecular Properties

Compound Name3-methyl-N-(4-methylcyclohexyl)pyrrolidine-3-carboxamide;hydrochloride
PubChem CID119779385
Molecular FormulaC13H25ClN2O
Molecular Weight260.81 g/mol
Exact Mass260.17
IUPAC Name3-methyl-N-(4-methylcyclohexyl)pyrrolidine-3-carboxamide;hydrochloride
SMILESCC1CCC(NC(=O)C2(C)CCNC2)CC1.Cl
InChIInChI=1S/C13H24N2O.ClH/c1-10-3-5-11(6-4-10)15-12(16)13(2)7-8-14-9-13;/h10-11,14H,3-9H2,1-2H3,(H,15,16);1H
InChIKeyAWNLMWHROZPLFB-UHFFFAOYSA-N
XLogP2.10
TPSA41.13 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500260.81
LogP ≤ 52.10
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

N-(4-aminocyclohexyl)-3-methylpyrrolidine-3-carboxamide
CID 63142128
3-methyl-N-(thian-4-yl)pyrrolidine-3-carboxamide
CID 115738917
N-cyclohexyl-3-methylpiperidine-3-carboxamide
CID 63132420
N-(4-methylcyclohexyl)-3-propan-2-ylpyrrolidine-3-carboxamide
CID 106981352
N-(1-cyclopropylpyrrolidin-3-yl)-3-methylpyrrolidine-3-carboxamide;dihydrochloride
CID 119864812
N-(4-aminocyclohexyl)-4-methylpiperidine-4-carboxamide
CID 63123013
3-methyl-N-[3-(trifluoromethyl)cyclohexyl]pyrrolidine-3-carboxamide;hydrochloride
CID 119701111
3-methyl-N-(5-methyl-2-propan-2-ylcyclohexyl)pyrrolidine-3-carboxamide
CID 63139513
4-methyl-N-(4-propylcyclohexyl)piperidine-4-carboxamide
CID 63122402
4-methyl-1-[(3-methylpyrrolidine-3-carbonyl)amino]cyclohexane-1-carboxylic acid
CID 63141596
3-methyl-N-(oxan-4-yl)piperidine-3-carboxamide
CID 63130240
N-cyclopropyl-3-(trifluoromethyl)pyrrolidine-3-carboxamide
CID 63708209

Frequently Asked Questions

What is the IUPAC name of 3-methyl-N-(4-methylcyclohexyl)pyrrolidine-3-carboxamide;hydrochloride?
The IUPAC name of 3-methyl-N-(4-methylcyclohexyl)pyrrolidine-3-carboxamide;hydrochloride (CID 119779385) is 3-methyl-N-(4-methylcyclohexyl)pyrrolidine-3-carboxamide;hydrochloride.
What is the SMILES notation for 3-methyl-N-(4-methylcyclohexyl)pyrrolidine-3-carboxamide;hydrochloride?
The canonical SMILES for 3-methyl-N-(4-methylcyclohexyl)pyrrolidine-3-carboxamide;hydrochloride is CC1CCC(NC(=O)C2(C)CCNC2)CC1.Cl.
What is the InChIKey of 3-methyl-N-(4-methylcyclohexyl)pyrrolidine-3-carboxamide;hydrochloride?
The InChIKey is AWNLMWHROZPLFB-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H24N2O.ClH/c1-10-3-5-11(6-4-10)15-12(16)13(2)7-8-14-9-13;/h10-11,14H,3-9H2,1-2H3,(H,15,16);1H.
What are the key properties of 3-methyl-N-(4-methylcyclohexyl)pyrrolidine-3-carboxamide;hydrochloride?
3-methyl-N-(4-methylcyclohexyl)pyrrolidine-3-carboxamide;hydrochloride has a molecular weight of 260.81 g/mol, XLogP of 2.10, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methyl-N-(4-methylcyclohexyl)pyrrolidine-3-carboxamide;hydrochloride is sourced from PubChem (CID 119779385), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).