4-(dimethylamino)cyclohexan-1-one;methanol

C9H19NO2 — CID 174399984

IUPAC4-(dimethylamino)cyclohexan-1-one;methanol
SMILESCN(C)C1CCC(=O)CC1.CO
InChIInChI=1S/C8H15NO.CH4O/c1-9(2)7-3-5-8(10)6-4-7;1-2/h7H,3-6H2,1-2H3;2H,1H3
InChIKeyOZGGPHARKLXURT-UHFFFAOYSA-N
MW173.26 g/mol
LogP0.67
Rot. Bonds1

About 4-(dimethylamino)cyclohexan-1-one;methanol

4-(dimethylamino)cyclohexan-1-one;methanol (PubChem CID 174399984) has the molecular formula C9H19NO2 and a molecular weight of 173.26 g/mol. Its IUPAC name is 4-(dimethylamino)cyclohexan-1-one;methanol.

Molecular Properties

Compound Name4-(dimethylamino)cyclohexan-1-one;methanol
PubChem CID174399984
Molecular FormulaC9H19NO2
Molecular Weight173.26 g/mol
Exact Mass173.14
IUPAC Name4-(dimethylamino)cyclohexan-1-one;methanol
SMILESCN(C)C1CCC(=O)CC1.CO
InChIInChI=1S/C8H15NO.CH4O/c1-9(2)7-3-5-8(10)6-4-7;1-2/h7H,3-6H2,1-2H3;2H,1H3
InChIKeyOZGGPHARKLXURT-UHFFFAOYSA-N
XLogP0.67
TPSA40.54 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500173.26
LogP ≤ 50.67
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 4-(dimethylamino)cyclohexan-1-one;methanol?
The IUPAC name of 4-(dimethylamino)cyclohexan-1-one;methanol (CID 174399984) is 4-(dimethylamino)cyclohexan-1-one;methanol.
What is the SMILES notation for 4-(dimethylamino)cyclohexan-1-one;methanol?
The canonical SMILES for 4-(dimethylamino)cyclohexan-1-one;methanol is CN(C)C1CCC(=O)CC1.CO.
What is the InChIKey of 4-(dimethylamino)cyclohexan-1-one;methanol?
The InChIKey is OZGGPHARKLXURT-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H15NO.CH4O/c1-9(2)7-3-5-8(10)6-4-7;1-2/h7H,3-6H2,1-2H3;2H,1H3.
What are the key properties of 4-(dimethylamino)cyclohexan-1-one;methanol?
4-(dimethylamino)cyclohexan-1-one;methanol has a molecular weight of 173.26 g/mol, XLogP of 0.67, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(dimethylamino)cyclohexan-1-one;methanol is sourced from PubChem (CID 174399984), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).