3,5-dimethyl-N-propan-2-ylcyclohexane-1-carboxamide

C12H23NO — CID 127783603

IUPAC3,5-dimethyl-N-propan-2-ylcyclohexane-1-carboxamide
SMILESCC1CC(C)CC(C(=O)NC(C)C)C1
InChIInChI=1S/C12H23NO/c1-8(2)13-12(14)11-6-9(3)5-10(4)7-11/h8-11H,5-7H2,1-4H3,(H,13,14)
InChIKeyUNSHIAOGZKFPDI-UHFFFAOYSA-N
MW197.32 g/mol
LogP2.58
Rot. Bonds2

About 3,5-dimethyl-N-propan-2-ylcyclohexane-1-carboxamide

3,5-dimethyl-N-propan-2-ylcyclohexane-1-carboxamide (PubChem CID 127783603) has the molecular formula C12H23NO and a molecular weight of 197.32 g/mol. Its IUPAC name is 3,5-dimethyl-N-propan-2-ylcyclohexane-1-carboxamide.

Molecular Properties

Compound Name3,5-dimethyl-N-propan-2-ylcyclohexane-1-carboxamide
PubChem CID127783603
Molecular FormulaC12H23NO
Molecular Weight197.32 g/mol
Exact Mass197.18
IUPAC Name3,5-dimethyl-N-propan-2-ylcyclohexane-1-carboxamide
SMILESCC1CC(C)CC(C(=O)NC(C)C)C1
InChIInChI=1S/C12H23NO/c1-8(2)13-12(14)11-6-9(3)5-10(4)7-11/h8-11H,5-7H2,1-4H3,(H,13,14)
InChIKeyUNSHIAOGZKFPDI-UHFFFAOYSA-N
XLogP2.58
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500197.32
LogP ≤ 52.58
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

(3R)-5-(propan-2-ylcarbamoyl)cyclohexane-1,3-dicarboxylic acid
CID 71289873
N-hydroxy-3,5-dimethylcyclohexane-1-carboxamide
CID 131134005
molecular hydrogen;N-propan-2-ylcyclohexanecarboxamide
CID 165395427
3-methyl-2-[(3-methylcyclobutanecarbonyl)amino]pentanoic acid
CID 115909831
9-amino-N-propan-2-ylbicyclo[3.3.1]nonane-3-carboxamide
CID 120983266
4-amino-3-methyl-N-propan-2-ylcyclohexane-1-carboxamide
CID 62777735
trans-(1R,2R)-2-(propan-2-ylcarbamoyl)cyclopropane-1-carboxylic acid
CID 93311717
2-[(3-methylcyclobutanecarbonyl)amino]pentanoic acid
CID 115923946
N-propan-2-ylpiperidin-1-ium-4-carboxamide
CID 7303409
N-[(2S)-1-aminopropan-2-yl]-3-methylcyclohexane-1-carboxamide;hydrochloride
CID 131134215
N-(2-hydroxy-2,3-dimethylbutyl)-3,5-dimethylcyclohexane-1-carboxamide
CID 110021339
2-methyl-1-(3-methylcyclobutyl)propan-1-one
CID 70309375

Frequently Asked Questions

What is the IUPAC name of 3,5-dimethyl-N-propan-2-ylcyclohexane-1-carboxamide?
The IUPAC name of 3,5-dimethyl-N-propan-2-ylcyclohexane-1-carboxamide (CID 127783603) is 3,5-dimethyl-N-propan-2-ylcyclohexane-1-carboxamide.
What is the SMILES notation for 3,5-dimethyl-N-propan-2-ylcyclohexane-1-carboxamide?
The canonical SMILES for 3,5-dimethyl-N-propan-2-ylcyclohexane-1-carboxamide is CC1CC(C)CC(C(=O)NC(C)C)C1.
What is the InChIKey of 3,5-dimethyl-N-propan-2-ylcyclohexane-1-carboxamide?
The InChIKey is UNSHIAOGZKFPDI-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H23NO/c1-8(2)13-12(14)11-6-9(3)5-10(4)7-11/h8-11H,5-7H2,1-4H3,(H,13,14).
What are the key properties of 3,5-dimethyl-N-propan-2-ylcyclohexane-1-carboxamide?
3,5-dimethyl-N-propan-2-ylcyclohexane-1-carboxamide has a molecular weight of 197.32 g/mol, XLogP of 2.58, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3,5-dimethyl-N-propan-2-ylcyclohexane-1-carboxamide is sourced from PubChem (CID 127783603), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).