N-(4,4-dimethylcyclohexyl)-N,3-dimethylpyrrolidine-2-carboxamide

C15H28N2O — CID 102779740

IUPACN-(4,4-dimethylcyclohexyl)-N,3-dimethylpyrrolidine-2-carboxamide
SMILESCC1CCNC1C(=O)N(C)C1CCC(C)(C)CC1
InChIInChI=1S/C15H28N2O/c1-11-7-10-16-13(11)14(18)17(4)12-5-8-15(2,3)9-6-12/h11-13,16H,5-10H2,1-4H3
InChIKeyONOIKRJLIGFZRW-UHFFFAOYSA-N
MW252.40 g/mol
LogP2.41
Rot. Bonds2

About N-(4,4-dimethylcyclohexyl)-N,3-dimethylpyrrolidine-2-carboxamide

N-(4,4-dimethylcyclohexyl)-N,3-dimethylpyrrolidine-2-carboxamide (PubChem CID 102779740) has the molecular formula C15H28N2O and a molecular weight of 252.40 g/mol. Its IUPAC name is N-(4,4-dimethylcyclohexyl)-N,3-dimethylpyrrolidine-2-carboxamide.

Molecular Properties

Compound NameN-(4,4-dimethylcyclohexyl)-N,3-dimethylpyrrolidine-2-carboxamide
PubChem CID102779740
Molecular FormulaC15H28N2O
Molecular Weight252.40 g/mol
Exact Mass252.22
IUPAC NameN-(4,4-dimethylcyclohexyl)-N,3-dimethylpyrrolidine-2-carboxamide
SMILESCC1CCNC1C(=O)N(C)C1CCC(C)(C)CC1
InChIInChI=1S/C15H28N2O/c1-11-7-10-16-13(11)14(18)17(4)12-5-8-15(2,3)9-6-12/h11-13,16H,5-10H2,1-4H3
InChIKeyONOIKRJLIGFZRW-UHFFFAOYSA-N
XLogP2.41
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500252.40
LogP ≤ 52.41
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-cyclohexyl-N,3-dimethylpiperidine-2-carboxamide
CID 62339784
N-(1-ethylpiperidin-4-yl)-N,3-dimethylpiperidine-2-carboxamide
CID 62339982
N-(1-cyclopropylethyl)-N,3-dimethylpyrrolidine-2-carboxamide
CID 102777396
N-(3,3-dimethylbutan-2-yl)-N,3-dimethylpyrrolidine-2-carboxamide
CID 102778623
N-cyclobutyl-N-methylazetidine-2-carboxamide
CID 130908967
N-(3,5-dimethylphenyl)-N,3-dimethylpyrrolidine-2-carboxamide
CID 102779294
ethane;(2S,3S)-3-methylpyrrolidine-2-carboxylic acid
CID 161011942
(2R,3S)-N-cyclopentyl-N,2-dimethylmorpholine-3-carboxamide;hydrochloride
CID 120920305
N-[2-(dimethylamino)ethyl]-3-methyl-N-propylpyrrolidine-2-carboxamide
CID 102779290
N-ethyl-3-methyl-N-propylpyrrolidine-2-carboxamide
CID 102777244
N-[(1-hydroxycyclopentyl)methyl]-N,3-dimethylpiperidine-2-carboxamide
CID 114949609
N-[1-(dimethylamino)propan-2-yl]-N-ethyl-3-methylpyrrolidine-2-carboxamide
CID 103188683

Frequently Asked Questions

What is the IUPAC name of N-(4,4-dimethylcyclohexyl)-N,3-dimethylpyrrolidine-2-carboxamide?
The IUPAC name of N-(4,4-dimethylcyclohexyl)-N,3-dimethylpyrrolidine-2-carboxamide (CID 102779740) is N-(4,4-dimethylcyclohexyl)-N,3-dimethylpyrrolidine-2-carboxamide.
What is the SMILES notation for N-(4,4-dimethylcyclohexyl)-N,3-dimethylpyrrolidine-2-carboxamide?
The canonical SMILES for N-(4,4-dimethylcyclohexyl)-N,3-dimethylpyrrolidine-2-carboxamide is CC1CCNC1C(=O)N(C)C1CCC(C)(C)CC1.
What is the InChIKey of N-(4,4-dimethylcyclohexyl)-N,3-dimethylpyrrolidine-2-carboxamide?
The InChIKey is ONOIKRJLIGFZRW-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H28N2O/c1-11-7-10-16-13(11)14(18)17(4)12-5-8-15(2,3)9-6-12/h11-13,16H,5-10H2,1-4H3.
What are the key properties of N-(4,4-dimethylcyclohexyl)-N,3-dimethylpyrrolidine-2-carboxamide?
N-(4,4-dimethylcyclohexyl)-N,3-dimethylpyrrolidine-2-carboxamide has a molecular weight of 252.40 g/mol, XLogP of 2.41, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4,4-dimethylcyclohexyl)-N,3-dimethylpyrrolidine-2-carboxamide is sourced from PubChem (CID 102779740), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).