N-(cyclohexylmethyl)-3-methylpyrrolidine-3-carboxamide;hydrochloride

C13H25ClN2O — CID 119672528

IUPACN-(cyclohexylmethyl)-3-methylpyrrolidine-3-carboxamide;hydrochloride
SMILESCC1(C(=O)NCC2CCCCC2)CCNC1.Cl
InChIInChI=1S/C13H24N2O.ClH/c1-13(7-8-14-10-13)12(16)15-9-11-5-3-2-4-6-11;/h11,14H,2-10H2,1H3,(H,15,16);1H
InChIKeyLQBPUWQINZXVTE-UHFFFAOYSA-N
MW260.81 g/mol
LogP2.10
Rot. Bonds3

About N-(cyclohexylmethyl)-3-methylpyrrolidine-3-carboxamide;hydrochloride

N-(cyclohexylmethyl)-3-methylpyrrolidine-3-carboxamide;hydrochloride (PubChem CID 119672528) has the molecular formula C13H25ClN2O and a molecular weight of 260.81 g/mol. Its IUPAC name is N-(cyclohexylmethyl)-3-methylpyrrolidine-3-carboxamide;hydrochloride.

Molecular Properties

Compound NameN-(cyclohexylmethyl)-3-methylpyrrolidine-3-carboxamide;hydrochloride
PubChem CID119672528
Molecular FormulaC13H25ClN2O
Molecular Weight260.81 g/mol
Exact Mass260.17
IUPAC NameN-(cyclohexylmethyl)-3-methylpyrrolidine-3-carboxamide;hydrochloride
SMILESCC1(C(=O)NCC2CCCCC2)CCNC1.Cl
InChIInChI=1S/C13H24N2O.ClH/c1-13(7-8-14-10-13)12(16)15-9-11-5-3-2-4-6-11;/h11,14H,2-10H2,1H3,(H,15,16);1H
InChIKeyLQBPUWQINZXVTE-UHFFFAOYSA-N
XLogP2.10
TPSA41.13 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
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-(cyclopropylmethyl)-3-methylpyrrolidine-3-carboxamide
CID 63140909
N-(2-cyclohexylethyl)-3-methylpyrrolidine-3-carboxamide
CID 55164951
N-(cyclohexylmethyl)-3-(trifluoromethyl)pyrrolidine-3-carboxamide
CID 63708236
4-[[(3-methylpiperidine-3-carbonyl)amino]methyl]cyclohexane-1-carboxylic acid
CID 79525938
N-(2-cyclopentyloxyethyl)-3-methylpyrrolidine-3-carboxamide
CID 63826527
1-methyl-N-(piperidin-4-ylmethyl)cyclobutane-1-carboxamide
CID 166176335
1-methyl-N-(piperidin-4-ylmethyl)cyclopropane-1-carboxamide
CID 130163320
N-[(1-ethylpyrrolidin-2-yl)methyl]-3-methylpyrrolidine-3-carboxamide
CID 63138600
N-(3-cyclopropylpropyl)-3-methylpyrrolidine-3-carboxamide
CID 115740541
N-[(2,2-dimethylcyclopropyl)methyl]-3-methylpiperidine-3-carboxamide;hydrochloride
CID 119945451
3-methyl-N-(2-piperidin-1-ylethyl)pyrrolidine-3-carboxamide;dihydrochloride
CID 119836645
3-methyl-N-(2-oxo-2-piperidin-1-ylethyl)pyrrolidine-3-carboxamide;hydrochloride
CID 119719489

Frequently Asked Questions

What is the IUPAC name of N-(cyclohexylmethyl)-3-methylpyrrolidine-3-carboxamide;hydrochloride?
The IUPAC name of N-(cyclohexylmethyl)-3-methylpyrrolidine-3-carboxamide;hydrochloride (CID 119672528) is N-(cyclohexylmethyl)-3-methylpyrrolidine-3-carboxamide;hydrochloride.
What is the SMILES notation for N-(cyclohexylmethyl)-3-methylpyrrolidine-3-carboxamide;hydrochloride?
The canonical SMILES for N-(cyclohexylmethyl)-3-methylpyrrolidine-3-carboxamide;hydrochloride is CC1(C(=O)NCC2CCCCC2)CCNC1.Cl.
What is the InChIKey of N-(cyclohexylmethyl)-3-methylpyrrolidine-3-carboxamide;hydrochloride?
The InChIKey is LQBPUWQINZXVTE-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H24N2O.ClH/c1-13(7-8-14-10-13)12(16)15-9-11-5-3-2-4-6-11;/h11,14H,2-10H2,1H3,(H,15,16);1H.
What are the key properties of N-(cyclohexylmethyl)-3-methylpyrrolidine-3-carboxamide;hydrochloride?
N-(cyclohexylmethyl)-3-methylpyrrolidine-3-carboxamide;hydrochloride has a molecular weight of 260.81 g/mol, XLogP of 2.10, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(cyclohexylmethyl)-3-methylpyrrolidine-3-carboxamide;hydrochloride is sourced from PubChem (CID 119672528), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).