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

C14H26N2O — CID 79384106

IUPACN-(4,4-dimethylcyclohexyl)-2-methylpyrrolidine-3-carboxamide
SMILESCC1NCCC1C(=O)NC1CCC(C)(C)CC1
InChIInChI=1S/C14H26N2O/c1-10-12(6-9-15-10)13(17)16-11-4-7-14(2,3)8-5-11/h10-12,15H,4-9H2,1-3H3,(H,16,17)
InChIKeyZXYURYAOVYNIFA-UHFFFAOYSA-N
MW238.37 g/mol
LogP2.07
Rot. Bonds2

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

N-(4,4-dimethylcyclohexyl)-2-methylpyrrolidine-3-carboxamide (PubChem CID 79384106) has the molecular formula C14H26N2O and a molecular weight of 238.37 g/mol. Its IUPAC name is N-(4,4-dimethylcyclohexyl)-2-methylpyrrolidine-3-carboxamide.

Molecular Properties

Compound NameN-(4,4-dimethylcyclohexyl)-2-methylpyrrolidine-3-carboxamide
PubChem CID79384106
Molecular FormulaC14H26N2O
Molecular Weight238.37 g/mol
Exact Mass238.20
IUPAC NameN-(4,4-dimethylcyclohexyl)-2-methylpyrrolidine-3-carboxamide
SMILESCC1NCCC1C(=O)NC1CCC(C)(C)CC1
InChIInChI=1S/C14H26N2O/c1-10-12(6-9-15-10)13(17)16-11-4-7-14(2,3)8-5-11/h10-12,15H,4-9H2,1-3H3,(H,16,17)
InChIKeyZXYURYAOVYNIFA-UHFFFAOYSA-N
XLogP2.07
TPSA41.13 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500238.37
LogP ≤ 52.07
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

2-methyl-N-[4-(trifluoromethyl)cyclohexyl]pyrrolidine-3-carboxamide
CID 79388833
N-(2,2-dimethyloxan-4-yl)-2-methylpyrrolidine-3-carboxamide
CID 83032762
(3S,4S)-N-(4,4-dimethylcyclohexyl)-4-methylpyrrolidine-3-carboxamide
CID 114084930
2-methyl-N-(1-methylpyrrolidin-3-yl)pyrrolidine-3-carboxamide
CID 79388554
N,2-dimethylpyrrolidine-3-carboxamide
CID 79382983
2-methylpyrrolidine-3-carbohydrazide
CID 79384311
2-methyl-N-(1-methylpiperidin-3-yl)pyrrolidine-3-carboxamide
CID 79389112
2-methyl-N-(2-methylcyclopentyl)pyrrolidine-3-carboxamide
CID 79384002
N-(4,4-dimethylcyclohexyl)-4-methylcyclohexane-1-carboxamide
CID 141160516
(2R,3R)-2-methylpyrrolidine-3-carboxylic acid
CID 10887930
N-[2-(ethylamino)-2-oxoethyl]-2-methylpyrrolidine-3-carboxamide
CID 79388729
2-[(2-methylpyrrolidine-3-carbonyl)amino]acetic acid
CID 79388783

Frequently Asked Questions

What is the IUPAC name of N-(4,4-dimethylcyclohexyl)-2-methylpyrrolidine-3-carboxamide?
The IUPAC name of N-(4,4-dimethylcyclohexyl)-2-methylpyrrolidine-3-carboxamide (CID 79384106) is N-(4,4-dimethylcyclohexyl)-2-methylpyrrolidine-3-carboxamide.
What is the SMILES notation for N-(4,4-dimethylcyclohexyl)-2-methylpyrrolidine-3-carboxamide?
The canonical SMILES for N-(4,4-dimethylcyclohexyl)-2-methylpyrrolidine-3-carboxamide is CC1NCCC1C(=O)NC1CCC(C)(C)CC1.
What is the InChIKey of N-(4,4-dimethylcyclohexyl)-2-methylpyrrolidine-3-carboxamide?
The InChIKey is ZXYURYAOVYNIFA-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H26N2O/c1-10-12(6-9-15-10)13(17)16-11-4-7-14(2,3)8-5-11/h10-12,15H,4-9H2,1-3H3,(H,16,17).
What are the key properties of N-(4,4-dimethylcyclohexyl)-2-methylpyrrolidine-3-carboxamide?
N-(4,4-dimethylcyclohexyl)-2-methylpyrrolidine-3-carboxamide has a molecular weight of 238.37 g/mol, XLogP of 2.07, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4,4-dimethylcyclohexyl)-2-methylpyrrolidine-3-carboxamide is sourced from PubChem (CID 79384106), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).