2-(4-methylcyclohexyl)acetamide;hydrochloride

C9H18ClNO — CID 169091321

IUPAC2-(4-methylcyclohexyl)acetamide;hydrochloride
SMILESCC1CCC(CC(N)=O)CC1.Cl
InChIInChI=1S/C9H17NO.ClH/c1-7-2-4-8(5-3-7)6-9(10)11;/h7-8H,2-6H2,1H3,(H2,10,11);1H
InChIKeyVOGRHRMVZNJPJO-UHFFFAOYSA-N
MW191.70 g/mol
LogP2.11
Rot. Bonds2

About 2-(4-methylcyclohexyl)acetamide;hydrochloride

2-(4-methylcyclohexyl)acetamide;hydrochloride (PubChem CID 169091321) has the molecular formula C9H18ClNO and a molecular weight of 191.70 g/mol. Its IUPAC name is 2-(4-methylcyclohexyl)acetamide;hydrochloride.

Molecular Properties

Compound Name2-(4-methylcyclohexyl)acetamide;hydrochloride
PubChem CID169091321
Molecular FormulaC9H18ClNO
Molecular Weight191.70 g/mol
Exact Mass191.11
IUPAC Name2-(4-methylcyclohexyl)acetamide;hydrochloride
SMILESCC1CCC(CC(N)=O)CC1.Cl
InChIInChI=1S/C9H17NO.ClH/c1-7-2-4-8(5-3-7)6-9(10)11;/h7-8H,2-6H2,1H3,(H2,10,11);1H
InChIKeyVOGRHRMVZNJPJO-UHFFFAOYSA-N
XLogP2.11
TPSA43.09 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500191.70
LogP ≤ 52.11
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 2-(4-methylcyclohexyl)acetamide;hydrochloride?
The IUPAC name of 2-(4-methylcyclohexyl)acetamide;hydrochloride (CID 169091321) is 2-(4-methylcyclohexyl)acetamide;hydrochloride.
What is the SMILES notation for 2-(4-methylcyclohexyl)acetamide;hydrochloride?
The canonical SMILES for 2-(4-methylcyclohexyl)acetamide;hydrochloride is CC1CCC(CC(N)=O)CC1.Cl.
What is the InChIKey of 2-(4-methylcyclohexyl)acetamide;hydrochloride?
The InChIKey is VOGRHRMVZNJPJO-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H17NO.ClH/c1-7-2-4-8(5-3-7)6-9(10)11;/h7-8H,2-6H2,1H3,(H2,10,11);1H.
What are the key properties of 2-(4-methylcyclohexyl)acetamide;hydrochloride?
2-(4-methylcyclohexyl)acetamide;hydrochloride has a molecular weight of 191.70 g/mol, XLogP of 2.11, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-methylcyclohexyl)acetamide;hydrochloride is sourced from PubChem (CID 169091321), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).