2-[(dimethylamino)methyl]-2-methylcyclohexan-1-one

C10H19NO — CID 13308219

IUPAC2-[(dimethylamino)methyl]-2-methylcyclohexan-1-one
SMILESCN(C)CC1(C)CCCCC1=O
InChIInChI=1S/C10H19NO/c1-10(8-11(2)3)7-5-4-6-9(10)12/h4-8H2,1-3H3
InChIKeyRTZRCFWZUFQWHN-UHFFFAOYSA-N
MW169.27 g/mol
LogP1.70
Rot. Bonds2

About 2-[(dimethylamino)methyl]-2-methylcyclohexan-1-one

2-[(dimethylamino)methyl]-2-methylcyclohexan-1-one (PubChem CID 13308219) has the molecular formula C10H19NO and a molecular weight of 169.27 g/mol. Its IUPAC name is 2-[(dimethylamino)methyl]-2-methylcyclohexan-1-one.

Molecular Properties

Compound Name2-[(dimethylamino)methyl]-2-methylcyclohexan-1-one
PubChem CID13308219
Molecular FormulaC10H19NO
Molecular Weight169.27 g/mol
Exact Mass169.15
IUPAC Name2-[(dimethylamino)methyl]-2-methylcyclohexan-1-one
SMILESCN(C)CC1(C)CCCCC1=O
InChIInChI=1S/C10H19NO/c1-10(8-11(2)3)7-5-4-6-9(10)12/h4-8H2,1-3H3
InChIKeyRTZRCFWZUFQWHN-UHFFFAOYSA-N
XLogP1.70
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500169.27
LogP ≤ 51.70
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Analyze 2-[(dimethylamino)methyl]-2-methylcyclohexan-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

Related Compounds

2-(Dimethylaminomethyl)-1-cyclohexanone hydrochloride
CID 359482
2-((Dimethylamino)methyl)cyclohexanone
CID 85838
2,6-Bis((dimethylamino)methyl)cyclohexanone
CID 358900
2,6-Bis-(dimethylaminomethyl)-cyclohexanone dihydrochloride
CID 358899
Methanaminium,3-cyclohexanediyl)bis(methyl)bis [N,N,N-trimethyl-, diiodide
CID 360569
N,N,N-trimethyl(2-oxocyclohexyl)methanaminium
CID 359484
2-[(Dimethylamino)methyl]cyclododecan-1-one;hydrochloride
CID 378658
5-(Dimethylamino)-4,4-dimethyl-1-(3-methylcyclohexyl)pentan-1-one
CID 199229
3-[(Dimethylamino)methyl]heptan-2-one
CID 85902549
2-[(Dimethylamino)methyl]cyclododecan-1-one
CID 378659
4-Tert-butyl-2-[(dimethylamino)methyl]cyclohexan-1-one;hydrochloride
CID 2972871
3-[(Dimethylamino)methyl]octan-2-one
CID 154866230

Frequently Asked Questions

What is the IUPAC name of 2-[(dimethylamino)methyl]-2-methylcyclohexan-1-one?
The IUPAC name of 2-[(dimethylamino)methyl]-2-methylcyclohexan-1-one (CID 13308219) is 2-[(dimethylamino)methyl]-2-methylcyclohexan-1-one.
What is the SMILES notation for 2-[(dimethylamino)methyl]-2-methylcyclohexan-1-one?
The canonical SMILES for 2-[(dimethylamino)methyl]-2-methylcyclohexan-1-one is CN(C)CC1(C)CCCCC1=O.
What is the InChIKey of 2-[(dimethylamino)methyl]-2-methylcyclohexan-1-one?
The InChIKey is RTZRCFWZUFQWHN-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H19NO/c1-10(8-11(2)3)7-5-4-6-9(10)12/h4-8H2,1-3H3.
What are the key properties of 2-[(dimethylamino)methyl]-2-methylcyclohexan-1-one?
2-[(dimethylamino)methyl]-2-methylcyclohexan-1-one has a molecular weight of 169.27 g/mol, XLogP of 1.70, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(dimethylamino)methyl]-2-methylcyclohexan-1-one is sourced from PubChem (CID 13308219), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).