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

C11H23NO2 — CID 174413807

IUPAC4-(diethylamino)cyclohexan-1-one;methanol
SMILESCCN(CC)C1CCC(=O)CC1.CO
InChIInChI=1S/C10H19NO.CH4O/c1-3-11(4-2)9-5-7-10(12)8-6-9;1-2/h9H,3-8H2,1-2H3;2H,1H3
InChIKeyACTAJXNOYUJWPB-UHFFFAOYSA-N
MW201.31 g/mol
LogP1.45
Rot. Bonds3

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

4-(diethylamino)cyclohexan-1-one;methanol (PubChem CID 174413807) has the molecular formula C11H23NO2 and a molecular weight of 201.31 g/mol. Its IUPAC name is 4-(diethylamino)cyclohexan-1-one;methanol.

Molecular Properties

Compound Name4-(diethylamino)cyclohexan-1-one;methanol
PubChem CID174413807
Molecular FormulaC11H23NO2
Molecular Weight201.31 g/mol
Exact Mass201.17
IUPAC Name4-(diethylamino)cyclohexan-1-one;methanol
SMILESCCN(CC)C1CCC(=O)CC1.CO
InChIInChI=1S/C10H19NO.CH4O/c1-3-11(4-2)9-5-7-10(12)8-6-9;1-2/h9H,3-8H2,1-2H3;2H,1H3
InChIKeyACTAJXNOYUJWPB-UHFFFAOYSA-N
XLogP1.45
TPSA40.54 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500201.31
LogP ≤ 51.45
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

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Frequently Asked Questions

What is the IUPAC name of 4-(diethylamino)cyclohexan-1-one;methanol?
The IUPAC name of 4-(diethylamino)cyclohexan-1-one;methanol (CID 174413807) is 4-(diethylamino)cyclohexan-1-one;methanol.
What is the SMILES notation for 4-(diethylamino)cyclohexan-1-one;methanol?
The canonical SMILES for 4-(diethylamino)cyclohexan-1-one;methanol is CCN(CC)C1CCC(=O)CC1.CO.
What is the InChIKey of 4-(diethylamino)cyclohexan-1-one;methanol?
The InChIKey is ACTAJXNOYUJWPB-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H19NO.CH4O/c1-3-11(4-2)9-5-7-10(12)8-6-9;1-2/h9H,3-8H2,1-2H3;2H,1H3.
What are the key properties of 4-(diethylamino)cyclohexan-1-one;methanol?
4-(diethylamino)cyclohexan-1-one;methanol has a molecular weight of 201.31 g/mol, XLogP of 1.45, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(diethylamino)cyclohexan-1-one;methanol is sourced from PubChem (CID 174413807), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).