(1R,2R,4S)-2,4-dimethylcyclohexane-1-carboxamide;ethane

C11H23NO — CID 91164443

IUPAC(1R,2R,4S)-2,4-dimethylcyclohexane-1-carboxamide;ethane
SMILESCC.C[C@H]1CC[C@@H](C(N)=O)[C@H](C)C1
InChIInChI=1S/C9H17NO.C2H6/c1-6-3-4-8(9(10)11)7(2)5-6;1-2/h6-8H,3-5H2,1-2H3,(H2,10,11);1-2H3/t6-,7+,8+;/m0./s1
InChIKeyUQLAFRJFPIJCTJ-HNPMAXIBSA-N
MW185.31 g/mol
LogP2.57
Rot. Bonds1

About (1R,2R,4S)-2,4-dimethylcyclohexane-1-carboxamide;ethane

(1R,2R,4S)-2,4-dimethylcyclohexane-1-carboxamide;ethane (PubChem CID 91164443) has the molecular formula C11H23NO and a molecular weight of 185.31 g/mol. Its IUPAC name is (1R,2R,4S)-2,4-dimethylcyclohexane-1-carboxamide;ethane.

Molecular Properties

Compound Name(1R,2R,4S)-2,4-dimethylcyclohexane-1-carboxamide;ethane
PubChem CID91164443
Molecular FormulaC11H23NO
Molecular Weight185.31 g/mol
Exact Mass185.18
IUPAC Name(1R,2R,4S)-2,4-dimethylcyclohexane-1-carboxamide;ethane
SMILESCC.C[C@H]1CC[C@@H](C(N)=O)[C@H](C)C1
InChIInChI=1S/C9H17NO.C2H6/c1-6-3-4-8(9(10)11)7(2)5-6;1-2/h6-8H,3-5H2,1-2H3,(H2,10,11);1-2H3/t6-,7+,8+;/m0./s1
InChIKeyUQLAFRJFPIJCTJ-HNPMAXIBSA-N
XLogP2.57
TPSA43.09 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500185.31
LogP ≤ 52.57
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of (1R,2R,4S)-2,4-dimethylcyclohexane-1-carboxamide;ethane?
The IUPAC name of (1R,2R,4S)-2,4-dimethylcyclohexane-1-carboxamide;ethane (CID 91164443) is (1R,2R,4S)-2,4-dimethylcyclohexane-1-carboxamide;ethane.
What is the SMILES notation for (1R,2R,4S)-2,4-dimethylcyclohexane-1-carboxamide;ethane?
The canonical SMILES for (1R,2R,4S)-2,4-dimethylcyclohexane-1-carboxamide;ethane is CC.C[C@H]1CC[C@@H](C(N)=O)[C@H](C)C1.
What is the InChIKey of (1R,2R,4S)-2,4-dimethylcyclohexane-1-carboxamide;ethane?
The InChIKey is UQLAFRJFPIJCTJ-HNPMAXIBSA-N. The full InChI is InChI=1S/C9H17NO.C2H6/c1-6-3-4-8(9(10)11)7(2)5-6;1-2/h6-8H,3-5H2,1-2H3,(H2,10,11);1-2H3/t6-,7+,8+;/m0./s1.
What are the key properties of (1R,2R,4S)-2,4-dimethylcyclohexane-1-carboxamide;ethane?
(1R,2R,4S)-2,4-dimethylcyclohexane-1-carboxamide;ethane has a molecular weight of 185.31 g/mol, XLogP of 2.57, 1 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (1R,2R,4S)-2,4-dimethylcyclohexane-1-carboxamide;ethane is sourced from PubChem (CID 91164443), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).