1,3-dimethylcyclohexane-1-carboxamide

C9H17NO — CID 71434485

IUPAC1,3-dimethylcyclohexane-1-carboxamide
SMILESCC1CCCC(C)(C(N)=O)C1
InChIInChI=1S/C9H17NO/c1-7-4-3-5-9(2,6-7)8(10)11/h7H,3-6H2,1-2H3,(H2,10,11)
InChIKeyGKORCMMPXKSLSA-UHFFFAOYSA-N
MW155.24 g/mol
LogP1.69
Rot. Bonds1

About 1,3-dimethylcyclohexane-1-carboxamide

1,3-dimethylcyclohexane-1-carboxamide (PubChem CID 71434485) has the molecular formula C9H17NO and a molecular weight of 155.24 g/mol. Its IUPAC name is 1,3-dimethylcyclohexane-1-carboxamide.

Molecular Properties

Compound Name1,3-dimethylcyclohexane-1-carboxamide
PubChem CID71434485
Molecular FormulaC9H17NO
Molecular Weight155.24 g/mol
Exact Mass155.13
IUPAC Name1,3-dimethylcyclohexane-1-carboxamide
SMILESCC1CCCC(C)(C(N)=O)C1
InChIInChI=1S/C9H17NO/c1-7-4-3-5-9(2,6-7)8(10)11/h7H,3-6H2,1-2H3,(H2,10,11)
InChIKeyGKORCMMPXKSLSA-UHFFFAOYSA-N
XLogP1.69
TPSA43.09 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500155.24
LogP ≤ 51.69
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

1,3-dimethylcyclohexane-1-carboxylic acid;gallane
CID 173230455
cis-(1S,3S)-1-amino-3-methylcyclohexane-1-carboxamide
CID 93311266
2-(1-amino-3-methylcyclohexyl)acetamide
CID 165483573
(1-amino-3-methylcyclohexyl)-(oxan-4-yl)methanone
CID 116579256
cis-(1R,3R)-1,3-dimethylcyclohexan-1-amine
CID 10797095
[(3R)-1-(acetyloxymethyl)-3-methylcyclohexyl]methyl acetate
CID 168973953
(1-hydroxy-3-methylcyclohexyl)methylurea
CID 63374230
cis-(1S,3S)-1-(aminomethyl)-3-methylcyclohexan-1-ol
CID 25015095
(1-amino-3-methylcyclohexyl)-(3-methylcyclohexyl)methanone
CID 116579260
1-amino-N-hydroxy-3-methylcyclohexane-1-carboxamide
CID 64555298
trans-methyl (1R,3S)-1-amino-3-methylcyclohexane-1-carboxylate
CID 93311018
trans-methyl (1S,3R)-1-amino-3-methylcyclohexane-1-carboxylate
CID 93311019

Frequently Asked Questions

What is the IUPAC name of 1,3-dimethylcyclohexane-1-carboxamide?
The IUPAC name of 1,3-dimethylcyclohexane-1-carboxamide (CID 71434485) is 1,3-dimethylcyclohexane-1-carboxamide.
What is the SMILES notation for 1,3-dimethylcyclohexane-1-carboxamide?
The canonical SMILES for 1,3-dimethylcyclohexane-1-carboxamide is CC1CCCC(C)(C(N)=O)C1.
What is the InChIKey of 1,3-dimethylcyclohexane-1-carboxamide?
The InChIKey is GKORCMMPXKSLSA-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H17NO/c1-7-4-3-5-9(2,6-7)8(10)11/h7H,3-6H2,1-2H3,(H2,10,11).
What are the key properties of 1,3-dimethylcyclohexane-1-carboxamide?
1,3-dimethylcyclohexane-1-carboxamide has a molecular weight of 155.24 g/mol, XLogP of 1.69, 1 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1,3-dimethylcyclohexane-1-carboxamide is sourced from PubChem (CID 71434485), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).