4-[2-(dimethylamino)ethyl-methylamino]cyclohexan-1-one

C11H22N2O — CID 79119760

IUPAC4-[2-(dimethylamino)ethyl-methylamino]cyclohexan-1-one
SMILESCN(C)CCN(C)C1CCC(=O)CC1
InChIInChI=1S/C11H22N2O/c1-12(2)8-9-13(3)10-4-6-11(14)7-5-10/h10H,4-9H2,1-3H3
InChIKeyRXOOHWWWEUJXME-UHFFFAOYSA-N
MW198.31 g/mol
LogP0.99
Rot. Bonds4

About 4-[2-(dimethylamino)ethyl-methylamino]cyclohexan-1-one

4-[2-(dimethylamino)ethyl-methylamino]cyclohexan-1-one (PubChem CID 79119760) has the molecular formula C11H22N2O and a molecular weight of 198.31 g/mol. Its IUPAC name is 4-[2-(dimethylamino)ethyl-methylamino]cyclohexan-1-one.

Molecular Properties

Compound Name4-[2-(dimethylamino)ethyl-methylamino]cyclohexan-1-one
PubChem CID79119760
Molecular FormulaC11H22N2O
Molecular Weight198.31 g/mol
Exact Mass198.17
IUPAC Name4-[2-(dimethylamino)ethyl-methylamino]cyclohexan-1-one
SMILESCN(C)CCN(C)C1CCC(=O)CC1
InChIInChI=1S/C11H22N2O/c1-12(2)8-9-13(3)10-4-6-11(14)7-5-10/h10H,4-9H2,1-3H3
InChIKeyRXOOHWWWEUJXME-UHFFFAOYSA-N
XLogP0.99
TPSA23.55 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500198.31
LogP ≤ 50.99
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Analyze 4-[2-(dimethylamino)ethyl-methylamino]cyclohexan-1-one with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 4-[2-(dimethylamino)ethyl-methylamino]cyclohexan-1-one?
The IUPAC name of 4-[2-(dimethylamino)ethyl-methylamino]cyclohexan-1-one (CID 79119760) is 4-[2-(dimethylamino)ethyl-methylamino]cyclohexan-1-one.
What is the SMILES notation for 4-[2-(dimethylamino)ethyl-methylamino]cyclohexan-1-one?
The canonical SMILES for 4-[2-(dimethylamino)ethyl-methylamino]cyclohexan-1-one is CN(C)CCN(C)C1CCC(=O)CC1.
What is the InChIKey of 4-[2-(dimethylamino)ethyl-methylamino]cyclohexan-1-one?
The InChIKey is RXOOHWWWEUJXME-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H22N2O/c1-12(2)8-9-13(3)10-4-6-11(14)7-5-10/h10H,4-9H2,1-3H3.
What are the key properties of 4-[2-(dimethylamino)ethyl-methylamino]cyclohexan-1-one?
4-[2-(dimethylamino)ethyl-methylamino]cyclohexan-1-one has a molecular weight of 198.31 g/mol, XLogP of 0.99, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[2-(dimethylamino)ethyl-methylamino]cyclohexan-1-one is sourced from PubChem (CID 79119760), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).