6-[(dimethylamino)methyl]-2,2-dimethylcyclohexan-1-one

C11H21NO — CID 69350867

IUPAC6-[(dimethylamino)methyl]-2,2-dimethylcyclohexan-1-one
SMILESCN(C)CC1CCCC(C)(C)C1=O
InChIInChI=1S/C11H21NO/c1-11(2)7-5-6-9(10(11)13)8-12(3)4/h9H,5-8H2,1-4H3
InChIKeyFGERMAMWVCWOFT-UHFFFAOYSA-N
MW183.29 g/mol
LogP1.94
Rot. Bonds2

About 6-[(dimethylamino)methyl]-2,2-dimethylcyclohexan-1-one

6-[(dimethylamino)methyl]-2,2-dimethylcyclohexan-1-one (PubChem CID 69350867) has the molecular formula C11H21NO and a molecular weight of 183.29 g/mol. Its IUPAC name is 6-[(dimethylamino)methyl]-2,2-dimethylcyclohexan-1-one.

Molecular Properties

Compound Name6-[(dimethylamino)methyl]-2,2-dimethylcyclohexan-1-one
PubChem CID69350867
Molecular FormulaC11H21NO
Molecular Weight183.29 g/mol
Exact Mass183.16
IUPAC Name6-[(dimethylamino)methyl]-2,2-dimethylcyclohexan-1-one
SMILESCN(C)CC1CCCC(C)(C)C1=O
InChIInChI=1S/C11H21NO/c1-11(2)7-5-6-9(10(11)13)8-12(3)4/h9H,5-8H2,1-4H3
InChIKeyFGERMAMWVCWOFT-UHFFFAOYSA-N
XLogP1.94
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500183.29
LogP ≤ 51.94
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 6-[(dimethylamino)methyl]-2,2-dimethylcyclohexan-1-one?
The IUPAC name of 6-[(dimethylamino)methyl]-2,2-dimethylcyclohexan-1-one (CID 69350867) is 6-[(dimethylamino)methyl]-2,2-dimethylcyclohexan-1-one.
What is the SMILES notation for 6-[(dimethylamino)methyl]-2,2-dimethylcyclohexan-1-one?
The canonical SMILES for 6-[(dimethylamino)methyl]-2,2-dimethylcyclohexan-1-one is CN(C)CC1CCCC(C)(C)C1=O.
What is the InChIKey of 6-[(dimethylamino)methyl]-2,2-dimethylcyclohexan-1-one?
The InChIKey is FGERMAMWVCWOFT-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H21NO/c1-11(2)7-5-6-9(10(11)13)8-12(3)4/h9H,5-8H2,1-4H3.
What are the key properties of 6-[(dimethylamino)methyl]-2,2-dimethylcyclohexan-1-one?
6-[(dimethylamino)methyl]-2,2-dimethylcyclohexan-1-one has a molecular weight of 183.29 g/mol, XLogP of 1.94, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[(dimethylamino)methyl]-2,2-dimethylcyclohexan-1-one is sourced from PubChem (CID 69350867), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).