4,4-dimethyl-6-(methylaminomethyl)cyclohex-2-en-1-one

C10H17NO — CID 18320433

IUPAC4,4-dimethyl-6-(methylaminomethyl)cyclohex-2-en-1-one
SMILESCNCC1CC(C)(C)C=CC1=O
InChIInChI=1S/C10H17NO/c1-10(2)5-4-9(12)8(6-10)7-11-3/h4-5,8,11H,6-7H2,1-3H3
InChIKeyJOJKIOWDWIXEST-UHFFFAOYSA-N
MW167.25 g/mol
LogP1.38
Rot. Bonds2

About 4,4-dimethyl-6-(methylaminomethyl)cyclohex-2-en-1-one

4,4-dimethyl-6-(methylaminomethyl)cyclohex-2-en-1-one (PubChem CID 18320433) has the molecular formula C10H17NO and a molecular weight of 167.25 g/mol. Its IUPAC name is 4,4-dimethyl-6-(methylaminomethyl)cyclohex-2-en-1-one.

Molecular Properties

Compound Name4,4-dimethyl-6-(methylaminomethyl)cyclohex-2-en-1-one
PubChem CID18320433
Molecular FormulaC10H17NO
Molecular Weight167.25 g/mol
Exact Mass167.13
IUPAC Name4,4-dimethyl-6-(methylaminomethyl)cyclohex-2-en-1-one
SMILESCNCC1CC(C)(C)C=CC1=O
InChIInChI=1S/C10H17NO/c1-10(2)5-4-9(12)8(6-10)7-11-3/h4-5,8,11H,6-7H2,1-3H3
InChIKeyJOJKIOWDWIXEST-UHFFFAOYSA-N
XLogP1.38
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500167.25
LogP ≤ 51.38
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 4,4-dimethyl-6-(methylaminomethyl)cyclohex-2-en-1-one?
The IUPAC name of 4,4-dimethyl-6-(methylaminomethyl)cyclohex-2-en-1-one (CID 18320433) is 4,4-dimethyl-6-(methylaminomethyl)cyclohex-2-en-1-one.
What is the SMILES notation for 4,4-dimethyl-6-(methylaminomethyl)cyclohex-2-en-1-one?
The canonical SMILES for 4,4-dimethyl-6-(methylaminomethyl)cyclohex-2-en-1-one is CNCC1CC(C)(C)C=CC1=O.
What is the InChIKey of 4,4-dimethyl-6-(methylaminomethyl)cyclohex-2-en-1-one?
The InChIKey is JOJKIOWDWIXEST-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H17NO/c1-10(2)5-4-9(12)8(6-10)7-11-3/h4-5,8,11H,6-7H2,1-3H3.
What are the key properties of 4,4-dimethyl-6-(methylaminomethyl)cyclohex-2-en-1-one?
4,4-dimethyl-6-(methylaminomethyl)cyclohex-2-en-1-one has a molecular weight of 167.25 g/mol, XLogP of 1.38, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4,4-dimethyl-6-(methylaminomethyl)cyclohex-2-en-1-one is sourced from PubChem (CID 18320433), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).