6-[1-(ethylamino)ethyl]-4,4-dimethylcyclohex-2-en-1-one

C12H21NO — CID 18320254

IUPAC6-[1-(ethylamino)ethyl]-4,4-dimethylcyclohex-2-en-1-one
SMILESCCNC(C)C1CC(C)(C)C=CC1=O
InChIInChI=1S/C12H21NO/c1-5-13-9(2)10-8-12(3,4)7-6-11(10)14/h6-7,9-10,13H,5,8H2,1-4H3
InChIKeyLXJWJVVNYUUJSM-UHFFFAOYSA-N
MW195.31 g/mol
LogP2.16
Rot. Bonds3

About 6-[1-(ethylamino)ethyl]-4,4-dimethylcyclohex-2-en-1-one

6-[1-(ethylamino)ethyl]-4,4-dimethylcyclohex-2-en-1-one (PubChem CID 18320254) has the molecular formula C12H21NO and a molecular weight of 195.31 g/mol. Its IUPAC name is 6-[1-(ethylamino)ethyl]-4,4-dimethylcyclohex-2-en-1-one.

Molecular Properties

Compound Name6-[1-(ethylamino)ethyl]-4,4-dimethylcyclohex-2-en-1-one
PubChem CID18320254
Molecular FormulaC12H21NO
Molecular Weight195.31 g/mol
Exact Mass195.16
IUPAC Name6-[1-(ethylamino)ethyl]-4,4-dimethylcyclohex-2-en-1-one
SMILESCCNC(C)C1CC(C)(C)C=CC1=O
InChIInChI=1S/C12H21NO/c1-5-13-9(2)10-8-12(3,4)7-6-11(10)14/h6-7,9-10,13H,5,8H2,1-4H3
InChIKeyLXJWJVVNYUUJSM-UHFFFAOYSA-N
XLogP2.16
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500195.31
LogP ≤ 52.16
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

CID 144925
CID 144925
CID 46934066
CID 46934066
CID 86060860
CID 86060860
CID 144994
CID 144994
CID 18320065
CID 18320065
CID 18320113
CID 18320113
CID 18320134
CID 18320134
CID 18320145
CID 18320145
CID 18320151
CID 18320151
CID 18320173
CID 18320173
CID 18320186
CID 18320186
CID 18320196
CID 18320196

Frequently Asked Questions

What is the IUPAC name of 6-[1-(ethylamino)ethyl]-4,4-dimethylcyclohex-2-en-1-one?
The IUPAC name of 6-[1-(ethylamino)ethyl]-4,4-dimethylcyclohex-2-en-1-one (CID 18320254) is 6-[1-(ethylamino)ethyl]-4,4-dimethylcyclohex-2-en-1-one.
What is the SMILES notation for 6-[1-(ethylamino)ethyl]-4,4-dimethylcyclohex-2-en-1-one?
The canonical SMILES for 6-[1-(ethylamino)ethyl]-4,4-dimethylcyclohex-2-en-1-one is CCNC(C)C1CC(C)(C)C=CC1=O.
What is the InChIKey of 6-[1-(ethylamino)ethyl]-4,4-dimethylcyclohex-2-en-1-one?
The InChIKey is LXJWJVVNYUUJSM-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H21NO/c1-5-13-9(2)10-8-12(3,4)7-6-11(10)14/h6-7,9-10,13H,5,8H2,1-4H3.
What are the key properties of 6-[1-(ethylamino)ethyl]-4,4-dimethylcyclohex-2-en-1-one?
6-[1-(ethylamino)ethyl]-4,4-dimethylcyclohex-2-en-1-one has a molecular weight of 195.31 g/mol, XLogP of 2.16, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[1-(ethylamino)ethyl]-4,4-dimethylcyclohex-2-en-1-one is sourced from PubChem (CID 18320254), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).