(1R,2R,5R)-2,5-dimethylcyclohexane-1-carboxamide

C9H17NO — CID 93234202

IUPAC(1R,2R,5R)-2,5-dimethylcyclohexane-1-carboxamide
SMILESC[C@@H]1CC[C@@H](C)[C@H](C(N)=O)C1
InChIInChI=1S/C9H17NO/c1-6-3-4-7(2)8(5-6)9(10)11/h6-8H,3-5H2,1-2H3,(H2,10,11)/t6-,7-,8-/m1/s1
InChIKeyXFTFZRUKVXDWEE-BWZBUEFSSA-N
MW155.24 g/mol
LogP1.54
Rot. Bonds1

About (1R,2R,5R)-2,5-dimethylcyclohexane-1-carboxamide

(1R,2R,5R)-2,5-dimethylcyclohexane-1-carboxamide (PubChem CID 93234202) has the molecular formula C9H17NO and a molecular weight of 155.24 g/mol. Its IUPAC name is (1R,2R,5R)-2,5-dimethylcyclohexane-1-carboxamide.

Molecular Properties

Compound Name(1R,2R,5R)-2,5-dimethylcyclohexane-1-carboxamide
PubChem CID93234202
Molecular FormulaC9H17NO
Molecular Weight155.24 g/mol
Exact Mass155.13
IUPAC Name(1R,2R,5R)-2,5-dimethylcyclohexane-1-carboxamide
SMILESC[C@@H]1CC[C@@H](C)[C@H](C(N)=O)C1
InChIInChI=1S/C9H17NO/c1-6-3-4-7(2)8(5-6)9(10)11/h6-8H,3-5H2,1-2H3,(H2,10,11)/t6-,7-,8-/m1/s1
InChIKeyXFTFZRUKVXDWEE-BWZBUEFSSA-N
XLogP1.54
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 ≤ 51.54
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

2-carbamoyl-5-methylcyclohexane-1-carboxylic acid
CID 91122566
(1R,2R,4S)-2,4-dimethylcyclohexane-1-carboxamide;ethane
CID 91164443
cis-(1R,2S)-2-methylcyclopentane-1-carboxamide
CID 55289072
cis-(1S,3R)-3-methylcyclopentane-1-carboxamide
CID 142105884
(1R,2S,4R)-4-methylcyclohexane-1,2-dicarboxylic acid
CID 92643804
(1R,2R,4S)-2,4-dimethylcyclohexane-1-carboxylic acid
CID 7375874
(1S,2S,4S)-2,4-dimethylcyclohexane-1-carbonyl chloride
CID 89393215
carbamic acid;methylcyclopropane;hydrochloride
CID 175193332
trans-(1S,2S)-2-acetylcyclobutane-1-carboxamide
CID 55290686
trans-(1R,2R)-2-acetylcyclobutane-1-carboxamide
CID 45084156
cis-(1R,2S)-2-methylcyclobutane-1-carbohydrazide
CID 139509215
(1R,2R,5S)-2,5-dimethylcyclohexan-1-ol
CID 12794034

Frequently Asked Questions

What is the IUPAC name of (1R,2R,5R)-2,5-dimethylcyclohexane-1-carboxamide?
The IUPAC name of (1R,2R,5R)-2,5-dimethylcyclohexane-1-carboxamide (CID 93234202) is (1R,2R,5R)-2,5-dimethylcyclohexane-1-carboxamide.
What is the SMILES notation for (1R,2R,5R)-2,5-dimethylcyclohexane-1-carboxamide?
The canonical SMILES for (1R,2R,5R)-2,5-dimethylcyclohexane-1-carboxamide is C[C@@H]1CC[C@@H](C)[C@H](C(N)=O)C1.
What is the InChIKey of (1R,2R,5R)-2,5-dimethylcyclohexane-1-carboxamide?
The InChIKey is XFTFZRUKVXDWEE-BWZBUEFSSA-N. The full InChI is InChI=1S/C9H17NO/c1-6-3-4-7(2)8(5-6)9(10)11/h6-8H,3-5H2,1-2H3,(H2,10,11)/t6-,7-,8-/m1/s1.
What are the key properties of (1R,2R,5R)-2,5-dimethylcyclohexane-1-carboxamide?
(1R,2R,5R)-2,5-dimethylcyclohexane-1-carboxamide has a molecular weight of 155.24 g/mol, XLogP of 1.54, 1 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (1R,2R,5R)-2,5-dimethylcyclohexane-1-carboxamide is sourced from PubChem (CID 93234202), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).