6-amino-2,3-dimethylcyclohex-2-en-1-one;ethane

C12H25NO — CID 142832995

IUPAC6-amino-2,3-dimethylcyclohex-2-en-1-one;ethane
SMILESCC.CC.CC1=C(C)C(=O)C(N)CC1
InChIInChI=1S/C8H13NO.2C2H6/c1-5-3-4-7(9)8(10)6(5)2;2*1-2/h7H,3-4,9H2,1-2H3;2*1-2H3
InChIKeyODQUMOSXCQYYHO-UHFFFAOYSA-N
MW199.34 g/mol
LogP3.07
Rot. Bonds

About 6-amino-2,3-dimethylcyclohex-2-en-1-one;ethane

6-amino-2,3-dimethylcyclohex-2-en-1-one;ethane (PubChem CID 142832995) has the molecular formula C12H25NO and a molecular weight of 199.34 g/mol. Its IUPAC name is 6-amino-2,3-dimethylcyclohex-2-en-1-one;ethane.

Molecular Properties

Compound Name6-amino-2,3-dimethylcyclohex-2-en-1-one;ethane
PubChem CID142832995
Molecular FormulaC12H25NO
Molecular Weight199.34 g/mol
Exact Mass199.19
IUPAC Name6-amino-2,3-dimethylcyclohex-2-en-1-one;ethane
SMILESCC.CC.CC1=C(C)C(=O)C(N)CC1
InChIInChI=1S/C8H13NO.2C2H6/c1-5-3-4-7(9)8(10)6(5)2;2*1-2/h7H,3-4,9H2,1-2H3;2*1-2H3
InChIKeyODQUMOSXCQYYHO-UHFFFAOYSA-N
XLogP3.07
TPSA43.09 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500199.34
LogP ≤ 53.07
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

(1S)-2,3-dimethylcyclohex-2-en-1-amine
CID 129374983
3,4-dimethylcyclohex-3-en-1-amine;ethane
CID 177140946
bis(2,3-dimethylcyclopent-2-en-1-one);methane
CID 157136451
ethene;2-ethenyl-3-methylcyclopent-2-en-1-amine
CID 142463301
2-amino-4,5-dimethylcyclopent-4-ene-1,3-dione
CID 143772238
5-ethyl-2,3-dimethylcyclopent-2-en-1-one
CID 45140128
5-hydroxy-2,3-dimethylcyclopent-2-en-1-one
CID 534047
3-amino-2-methylcyclopentene-1-carbodithioic acid
CID 118224559
(3R)-3-amino-1-methylpiperidine-2,6-dione;hydrobromide
CID 146401292
2-amino-6,7-dichloro-3,4-dihydro-2H-naphthalen-1-one
CID 14976596
(3S)-3-aminooxolan-2-one;ethane
CID 90724165
2-amino-8-methoxy-3,4-dihydro-2H-naphthalen-1-one;hydrochloride
CID 19862989

Frequently Asked Questions

What is the IUPAC name of 6-amino-2,3-dimethylcyclohex-2-en-1-one;ethane?
The IUPAC name of 6-amino-2,3-dimethylcyclohex-2-en-1-one;ethane (CID 142832995) is 6-amino-2,3-dimethylcyclohex-2-en-1-one;ethane.
What is the SMILES notation for 6-amino-2,3-dimethylcyclohex-2-en-1-one;ethane?
The canonical SMILES for 6-amino-2,3-dimethylcyclohex-2-en-1-one;ethane is CC.CC.CC1=C(C)C(=O)C(N)CC1.
What is the InChIKey of 6-amino-2,3-dimethylcyclohex-2-en-1-one;ethane?
The InChIKey is ODQUMOSXCQYYHO-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H13NO.2C2H6/c1-5-3-4-7(9)8(10)6(5)2;2*1-2/h7H,3-4,9H2,1-2H3;2*1-2H3.
What are the key properties of 6-amino-2,3-dimethylcyclohex-2-en-1-one;ethane?
6-amino-2,3-dimethylcyclohex-2-en-1-one;ethane has a molecular weight of 199.34 g/mol, XLogP of 3.07, 0 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 6-amino-2,3-dimethylcyclohex-2-en-1-one;ethane is sourced from PubChem (CID 142832995), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).