4-(dimethylamino)-4-methylcyclohexan-1-one

C9H17NO — CID 131584867

IUPAC4-(dimethylamino)-4-methylcyclohexan-1-one
SMILESCN(C)C1(C)CCC(=O)CC1
InChIInChI=1S/C9H17NO/c1-9(10(2)3)6-4-8(11)5-7-9/h4-7H2,1-3H3
InChIKeyVNXDTSMGFUPUGL-UHFFFAOYSA-N
MW155.24 g/mol
LogP1.45
Rot. Bonds1

About 4-(dimethylamino)-4-methylcyclohexan-1-one

4-(dimethylamino)-4-methylcyclohexan-1-one (PubChem CID 131584867) has the molecular formula C9H17NO and a molecular weight of 155.24 g/mol. Its IUPAC name is 4-(dimethylamino)-4-methylcyclohexan-1-one.

Molecular Properties

Compound Name4-(dimethylamino)-4-methylcyclohexan-1-one
PubChem CID131584867
Molecular FormulaC9H17NO
Molecular Weight155.24 g/mol
Exact Mass155.13
IUPAC Name4-(dimethylamino)-4-methylcyclohexan-1-one
SMILESCN(C)C1(C)CCC(=O)CC1
InChIInChI=1S/C9H17NO/c1-9(10(2)3)6-4-8(11)5-7-9/h4-7H2,1-3H3
InChIKeyVNXDTSMGFUPUGL-UHFFFAOYSA-N
XLogP1.45
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500155.24
LogP ≤ 51.45
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 4-(dimethylamino)-4-methylcyclohexan-1-one?
The IUPAC name of 4-(dimethylamino)-4-methylcyclohexan-1-one (CID 131584867) is 4-(dimethylamino)-4-methylcyclohexan-1-one.
What is the SMILES notation for 4-(dimethylamino)-4-methylcyclohexan-1-one?
The canonical SMILES for 4-(dimethylamino)-4-methylcyclohexan-1-one is CN(C)C1(C)CCC(=O)CC1.
What is the InChIKey of 4-(dimethylamino)-4-methylcyclohexan-1-one?
The InChIKey is VNXDTSMGFUPUGL-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H17NO/c1-9(10(2)3)6-4-8(11)5-7-9/h4-7H2,1-3H3.
What are the key properties of 4-(dimethylamino)-4-methylcyclohexan-1-one?
4-(dimethylamino)-4-methylcyclohexan-1-one has a molecular weight of 155.24 g/mol, XLogP of 1.45, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(dimethylamino)-4-methylcyclohexan-1-one is sourced from PubChem (CID 131584867), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).