2,2-dimethyl-N-(3-methylpyrrolidin-3-yl)cyclohexane-1-carboxamide

C14H26N2O — CID 107423005

IUPAC2,2-dimethyl-N-(3-methylpyrrolidin-3-yl)cyclohexane-1-carboxamide
SMILESCC1(NC(=O)C2CCCCC2(C)C)CCNC1
InChIInChI=1S/C14H26N2O/c1-13(2)7-5-4-6-11(13)12(17)16-14(3)8-9-15-10-14/h11,15H,4-10H2,1-3H3,(H,16,17)
InChIKeyQWRZISPUVXXOJH-UHFFFAOYSA-N
MW238.37 g/mol
LogP2.07
Rot. Bonds2

About 2,2-dimethyl-N-(3-methylpyrrolidin-3-yl)cyclohexane-1-carboxamide

2,2-dimethyl-N-(3-methylpyrrolidin-3-yl)cyclohexane-1-carboxamide (PubChem CID 107423005) has the molecular formula C14H26N2O and a molecular weight of 238.37 g/mol. Its IUPAC name is 2,2-dimethyl-N-(3-methylpyrrolidin-3-yl)cyclohexane-1-carboxamide.

Molecular Properties

Compound Name2,2-dimethyl-N-(3-methylpyrrolidin-3-yl)cyclohexane-1-carboxamide
PubChem CID107423005
Molecular FormulaC14H26N2O
Molecular Weight238.37 g/mol
Exact Mass238.20
IUPAC Name2,2-dimethyl-N-(3-methylpyrrolidin-3-yl)cyclohexane-1-carboxamide
SMILESCC1(NC(=O)C2CCCCC2(C)C)CCNC1
InChIInChI=1S/C14H26N2O/c1-13(2)7-5-4-6-11(13)12(17)16-14(3)8-9-15-10-14/h11,15H,4-10H2,1-3H3,(H,16,17)
InChIKeyQWRZISPUVXXOJH-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

N-hydroxy-2,2-dimethylcyclohexane-1-carboxamide
CID 87324456
N-[(3-hydroxypyrrolidin-3-yl)methyl]-2,2-dimethylcyclopentane-1-carboxamide
CID 107176150
N-[1-(N'-hydroxycarbamimidoyl)cyclopentyl]-2,2-dimethylcyclohexane-1-carboxamide
CID 107182731
N-[1,3-dihydroxy-2-(hydroxymethyl)propan-2-yl]-2,2-dimethylcyclohexane-1-carboxamide
CID 114008358
2,2-dimethyl-N-(2-oxopropyl)cyclohexane-1-carboxamide
CID 107178834
N-(1-cyanocyclohexyl)-2,2-dimethylcyclopentane-1-carboxamide
CID 104918975
2,2-dimethyl-N-[(3R)-piperidin-3-yl]cyclopentane-1-carboxamide
CID 107181064
(2R)-2-[(2,2-dimethylcyclohexanecarbonyl)amino]propanoic acid
CID 107175360
2,2-dimethyl-N-(3-oxobutan-2-yl)cyclohexane-1-carboxamide
CID 107178837
(1S)-2,2-dimethylcyclohexane-1-carboxamide
CID 90019535
N-(3-methylazepan-3-yl)acetamide
CID 83682814
N-(2-hydroxycycloheptyl)-2,2-dimethylcyclohexane-1-carboxamide
CID 107180446

Frequently Asked Questions

What is the IUPAC name of 2,2-dimethyl-N-(3-methylpyrrolidin-3-yl)cyclohexane-1-carboxamide?
The IUPAC name of 2,2-dimethyl-N-(3-methylpyrrolidin-3-yl)cyclohexane-1-carboxamide (CID 107423005) is 2,2-dimethyl-N-(3-methylpyrrolidin-3-yl)cyclohexane-1-carboxamide.
What is the SMILES notation for 2,2-dimethyl-N-(3-methylpyrrolidin-3-yl)cyclohexane-1-carboxamide?
The canonical SMILES for 2,2-dimethyl-N-(3-methylpyrrolidin-3-yl)cyclohexane-1-carboxamide is CC1(NC(=O)C2CCCCC2(C)C)CCNC1.
What is the InChIKey of 2,2-dimethyl-N-(3-methylpyrrolidin-3-yl)cyclohexane-1-carboxamide?
The InChIKey is QWRZISPUVXXOJH-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H26N2O/c1-13(2)7-5-4-6-11(13)12(17)16-14(3)8-9-15-10-14/h11,15H,4-10H2,1-3H3,(H,16,17).
What are the key properties of 2,2-dimethyl-N-(3-methylpyrrolidin-3-yl)cyclohexane-1-carboxamide?
2,2-dimethyl-N-(3-methylpyrrolidin-3-yl)cyclohexane-1-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 2,2-dimethyl-N-(3-methylpyrrolidin-3-yl)cyclohexane-1-carboxamide is sourced from PubChem (CID 107423005), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).