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

C8H13NO — CID 18187175

IUPAC3-amino-6,6-dimethylcyclohex-2-en-1-one
SMILESCC1(C)CCC(N)=CC1=O
InChIInChI=1S/C8H13NO/c1-8(2)4-3-6(9)5-7(8)10/h5H,3-4,9H2,1-2H3
InChIKeySZTYOBVVBFZNGB-UHFFFAOYSA-N
MW139.20 g/mol
LogP1.22
Rot. Bonds

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

3-amino-6,6-dimethylcyclohex-2-en-1-one (PubChem CID 18187175) has the molecular formula C8H13NO and a molecular weight of 139.20 g/mol. Its IUPAC name is 3-amino-6,6-dimethylcyclohex-2-en-1-one.

Molecular Properties

Compound Name3-amino-6,6-dimethylcyclohex-2-en-1-one
PubChem CID18187175
Molecular FormulaC8H13NO
Molecular Weight139.20 g/mol
Exact Mass139.10
IUPAC Name3-amino-6,6-dimethylcyclohex-2-en-1-one
SMILESCC1(C)CCC(N)=CC1=O
InChIInChI=1S/C8H13NO/c1-8(2)4-3-6(9)5-7(8)10/h5H,3-4,9H2,1-2H3
InChIKeySZTYOBVVBFZNGB-UHFFFAOYSA-N
XLogP1.22
TPSA43.09 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500139.20
LogP ≤ 51.22
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

3-Aminocyclohex-2-en-1-one
CID 78892
5,5-Dimethyl-3-(n-propylamino)cyclohex-2-en-1-one
CID 143371
3-Amino-5,5-dimethyl-2-cyclohexen-1-one
CID 136680
5,5-Dimethyl-3-(methylamino)-2-cyclohexen-1-one
CID 136541
2-Cyclohexenone,3-(N,N-dimethylamino)-5,5-dimethyl-
CID 141609
3-Amino-5-methyl-2-cyclohexen-1-one
CID 3016877
ST50979434
CID 319578
N-(5,5-dimethyl-3-oxocyclohexen-1-yl)acetamide
CID 2731809
3-(Ethylamino)-5,5-dimethylcyclohex-2-en-1-one
CID 280256
3-(Hexylamino)-5,5-dimethylcyclohex-2-en-1-one
CID 319577
3-Amino-2,5,5-trimethyl-2-cyclohexen-1-one
CID 3827783
6,6-Dimethyl-3-aminocyclohexene-2-one
CID 139217377

Frequently Asked Questions

What is the IUPAC name of 3-amino-6,6-dimethylcyclohex-2-en-1-one?
The IUPAC name of 3-amino-6,6-dimethylcyclohex-2-en-1-one (CID 18187175) is 3-amino-6,6-dimethylcyclohex-2-en-1-one.
What is the SMILES notation for 3-amino-6,6-dimethylcyclohex-2-en-1-one?
The canonical SMILES for 3-amino-6,6-dimethylcyclohex-2-en-1-one is CC1(C)CCC(N)=CC1=O.
What is the InChIKey of 3-amino-6,6-dimethylcyclohex-2-en-1-one?
The InChIKey is SZTYOBVVBFZNGB-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H13NO/c1-8(2)4-3-6(9)5-7(8)10/h5H,3-4,9H2,1-2H3.
What are the key properties of 3-amino-6,6-dimethylcyclohex-2-en-1-one?
3-amino-6,6-dimethylcyclohex-2-en-1-one has a molecular weight of 139.20 g/mol, XLogP of 1.22, 0 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-6,6-dimethylcyclohex-2-en-1-one is sourced from PubChem (CID 18187175), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).