6-(diethylaminomethyl)-4,4-dimethylcyclohex-2-en-1-one

C13H23NO — CID 18320134

IUPAC6-(diethylaminomethyl)-4,4-dimethylcyclohex-2-en-1-one
SMILESCCN(CC)CC1CC(C)(C)C=CC1=O
InChIInChI=1S/C13H23NO/c1-5-14(6-2)10-11-9-13(3,4)8-7-12(11)15/h7-8,11H,5-6,9-10H2,1-4H3
InChIKeyHVOPWJXWAHJPDZ-UHFFFAOYSA-N
MW209.33 g/mol
LogP2.50
Rot. Bonds4

About 6-(diethylaminomethyl)-4,4-dimethylcyclohex-2-en-1-one

6-(diethylaminomethyl)-4,4-dimethylcyclohex-2-en-1-one (PubChem CID 18320134) has the molecular formula C13H23NO and a molecular weight of 209.33 g/mol. Its IUPAC name is 6-(diethylaminomethyl)-4,4-dimethylcyclohex-2-en-1-one.

Molecular Properties

Compound Name6-(diethylaminomethyl)-4,4-dimethylcyclohex-2-en-1-one
PubChem CID18320134
Molecular FormulaC13H23NO
Molecular Weight209.33 g/mol
Exact Mass209.18
IUPAC Name6-(diethylaminomethyl)-4,4-dimethylcyclohex-2-en-1-one
SMILESCCN(CC)CC1CC(C)(C)C=CC1=O
InChIInChI=1S/C13H23NO/c1-5-14(6-2)10-11-9-13(3,4)8-7-12(11)15/h7-8,11H,5-6,9-10H2,1-4H3
InChIKeyHVOPWJXWAHJPDZ-UHFFFAOYSA-N
XLogP2.50
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500209.33
LogP ≤ 52.50
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

2,2-dimethyl-1-(1-methyl-3,6-dihydro-2H-pyridin-4-yl)propan-1-one
CID 21757433
6-(Piperidin-1-ylmethyl)cyclohex-2-en-1-one
CID 101419248
7-(Piperidin-1-ylmethyl)cyclohept-2-en-1-one
CID 134855119
3-Dimethylamino-5,5-dimethylcyclo-hexen-2-one
CID 18320373
6-(Dimethylaminomethyl)-3,5,5-trimethylcyclo-hex-2-en-1-one hydrochloride
CID 129747816
(5E)-2-[(dimethylamino)methyl]-2-methyl-5-pentylidenecyclopentan-1-one
CID 6311585
6-[(Dimethylamino)methyl]cyclohex-2-en-1-one
CID 13661719
2-[(Dimethylamino)methyl]-4,4-dimethyl-6-methylidenecyclohex-2-en-1-one
CID 18320088
3-[(Dimethylamino)methyl]-4,4-dimethyl-6-methylidenecyclohex-2-en-1-one
CID 18320131
5-[(Dimethylamino)methyl]-4,4-dimethylcyclohex-2-en-1-one
CID 18320188
2-[(Dimethylamino)methyl]-4,4-dimethylcyclohex-2-en-1-one
CID 18320207
3-(Diethylaminomethyl)-4,4-dimethylcyclohex-2-en-1-one
CID 18320222

Frequently Asked Questions

What is the IUPAC name of 6-(diethylaminomethyl)-4,4-dimethylcyclohex-2-en-1-one?
The IUPAC name of 6-(diethylaminomethyl)-4,4-dimethylcyclohex-2-en-1-one (CID 18320134) is 6-(diethylaminomethyl)-4,4-dimethylcyclohex-2-en-1-one.
What is the SMILES notation for 6-(diethylaminomethyl)-4,4-dimethylcyclohex-2-en-1-one?
The canonical SMILES for 6-(diethylaminomethyl)-4,4-dimethylcyclohex-2-en-1-one is CCN(CC)CC1CC(C)(C)C=CC1=O.
What is the InChIKey of 6-(diethylaminomethyl)-4,4-dimethylcyclohex-2-en-1-one?
The InChIKey is HVOPWJXWAHJPDZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H23NO/c1-5-14(6-2)10-11-9-13(3,4)8-7-12(11)15/h7-8,11H,5-6,9-10H2,1-4H3.
What are the key properties of 6-(diethylaminomethyl)-4,4-dimethylcyclohex-2-en-1-one?
6-(diethylaminomethyl)-4,4-dimethylcyclohex-2-en-1-one has a molecular weight of 209.33 g/mol, XLogP of 2.50, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(diethylaminomethyl)-4,4-dimethylcyclohex-2-en-1-one is sourced from PubChem (CID 18320134), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).