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

C11H19NO — CID 18320278

IUPAC6-(ethylaminomethyl)-4,4-dimethylcyclohex-2-en-1-one
SMILESCCNCC1CC(C)(C)C=CC1=O
InChIInChI=1S/C11H19NO/c1-4-12-8-9-7-11(2,3)6-5-10(9)13/h5-6,9,12H,4,7-8H2,1-3H3
InChIKeyNNQXOPXTCXXEGB-UHFFFAOYSA-N
MW181.28 g/mol
LogP1.77
Rot. Bonds3

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

6-(ethylaminomethyl)-4,4-dimethylcyclohex-2-en-1-one (PubChem CID 18320278) has the molecular formula C11H19NO and a molecular weight of 181.28 g/mol. Its IUPAC name is 6-(ethylaminomethyl)-4,4-dimethylcyclohex-2-en-1-one.

Molecular Properties

Compound Name6-(ethylaminomethyl)-4,4-dimethylcyclohex-2-en-1-one
PubChem CID18320278
Molecular FormulaC11H19NO
Molecular Weight181.28 g/mol
Exact Mass181.15
IUPAC Name6-(ethylaminomethyl)-4,4-dimethylcyclohex-2-en-1-one
SMILESCCNCC1CC(C)(C)C=CC1=O
InChIInChI=1S/C11H19NO/c1-4-12-8-9-7-11(2,3)6-5-10(9)13/h5-6,9,12H,4,7-8H2,1-3H3
InChIKeyNNQXOPXTCXXEGB-UHFFFAOYSA-N
XLogP1.77
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500181.28
LogP ≤ 51.77
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 6-(ethylaminomethyl)-4,4-dimethylcyclohex-2-en-1-one?
The IUPAC name of 6-(ethylaminomethyl)-4,4-dimethylcyclohex-2-en-1-one (CID 18320278) is 6-(ethylaminomethyl)-4,4-dimethylcyclohex-2-en-1-one.
What is the SMILES notation for 6-(ethylaminomethyl)-4,4-dimethylcyclohex-2-en-1-one?
The canonical SMILES for 6-(ethylaminomethyl)-4,4-dimethylcyclohex-2-en-1-one is CCNCC1CC(C)(C)C=CC1=O.
What is the InChIKey of 6-(ethylaminomethyl)-4,4-dimethylcyclohex-2-en-1-one?
The InChIKey is NNQXOPXTCXXEGB-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H19NO/c1-4-12-8-9-7-11(2,3)6-5-10(9)13/h5-6,9,12H,4,7-8H2,1-3H3.
What are the key properties of 6-(ethylaminomethyl)-4,4-dimethylcyclohex-2-en-1-one?
6-(ethylaminomethyl)-4,4-dimethylcyclohex-2-en-1-one has a molecular weight of 181.28 g/mol, XLogP of 1.77, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(ethylaminomethyl)-4,4-dimethylcyclohex-2-en-1-one is sourced from PubChem (CID 18320278), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).