8-amino-1,1-dimethyl-3,4-dihydronaphthalen-2-one

C12H15NO — CID 135280999

IUPAC8-amino-1,1-dimethyl-3,4-dihydronaphthalen-2-one
SMILESCC1(C)C(=O)CCc2cccc(N)c21
InChIInChI=1S/C12H15NO/c1-12(2)10(14)7-6-8-4-3-5-9(13)11(8)12/h3-5H,6-7,13H2,1-2H3
InChIKeySDQFUUAPEYWSIX-UHFFFAOYSA-N
MW189.26 g/mol
LogP2.06
Rot. Bonds

About 8-amino-1,1-dimethyl-3,4-dihydronaphthalen-2-one

8-amino-1,1-dimethyl-3,4-dihydronaphthalen-2-one (PubChem CID 135280999) has the molecular formula C12H15NO and a molecular weight of 189.26 g/mol. Its IUPAC name is 8-amino-1,1-dimethyl-3,4-dihydronaphthalen-2-one.

Molecular Properties

Compound Name8-amino-1,1-dimethyl-3,4-dihydronaphthalen-2-one
PubChem CID135280999
Molecular FormulaC12H15NO
Molecular Weight189.26 g/mol
Exact Mass189.12
IUPAC Name8-amino-1,1-dimethyl-3,4-dihydronaphthalen-2-one
SMILESCC1(C)C(=O)CCc2cccc(N)c21
InChIInChI=1S/C12H15NO/c1-12(2)10(14)7-6-8-4-3-5-9(13)11(8)12/h3-5H,6-7,13H2,1-2H3
InChIKeySDQFUUAPEYWSIX-UHFFFAOYSA-N
XLogP2.06
TPSA43.09 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500189.26
LogP ≤ 52.06
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aniline', 'substructure': 'N/A'}

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Related Compounds

1,5-Diaminoanthraquinone
CID 8513
1-Aminoanthraquinone
CID 6710
6-Amino-1,2,3,4-tetrahydronaphthalen-1-one
CID 339537
4-Amino-phenanthrene-9,10-dione
CID 352335
(3-Aminophenyl)(3,4-dimethylphenyl)methanone
CID 684128
1,8-Diamino-9,10-anthracenedione
CID 8511
7-Amino-1,2,3,4-tetrahydronaphthalen-1-one
CID 327177
1-Amino-phenanthrene-9,10-dione
CID 10632854
4-amino-10H-anthracen-9-one
CID 10954793
1-Amino-9(10H)-anthracenone
CID 14919035
1-(2-Amino-6-methylphenyl)ethanone
CID 14202257
(E)-3-(3-aminophenyl)-1-(3,5,5,8,8-pentamethyl-6,7-dihydronaphthalen-2-yl)prop-2-en-1-one
CID 52946326

Frequently Asked Questions

What is the IUPAC name of 8-amino-1,1-dimethyl-3,4-dihydronaphthalen-2-one?
The IUPAC name of 8-amino-1,1-dimethyl-3,4-dihydronaphthalen-2-one (CID 135280999) is 8-amino-1,1-dimethyl-3,4-dihydronaphthalen-2-one.
What is the SMILES notation for 8-amino-1,1-dimethyl-3,4-dihydronaphthalen-2-one?
The canonical SMILES for 8-amino-1,1-dimethyl-3,4-dihydronaphthalen-2-one is CC1(C)C(=O)CCc2cccc(N)c21.
What is the InChIKey of 8-amino-1,1-dimethyl-3,4-dihydronaphthalen-2-one?
The InChIKey is SDQFUUAPEYWSIX-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H15NO/c1-12(2)10(14)7-6-8-4-3-5-9(13)11(8)12/h3-5H,6-7,13H2,1-2H3.
What are the key properties of 8-amino-1,1-dimethyl-3,4-dihydronaphthalen-2-one?
8-amino-1,1-dimethyl-3,4-dihydronaphthalen-2-one has a molecular weight of 189.26 g/mol, XLogP of 2.06, 0 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 8-amino-1,1-dimethyl-3,4-dihydronaphthalen-2-one is sourced from PubChem (CID 135280999), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).