8-amino-5-(methylamino)-3,4-dihydro-2H-naphthalen-1-one

C11H14N2O — CID 155183611

IUPAC8-amino-5-(methylamino)-3,4-dihydro-2H-naphthalen-1-one
SMILESCNc1ccc(N)c2c1CCCC2=O
InChIInChI=1S/C11H14N2O/c1-13-9-6-5-8(12)11-7(9)3-2-4-10(11)14/h5-6,13H,2-4,12H2,1H3
InChIKeyLETOKKRYDFZTMK-UHFFFAOYSA-N
MW190.25 g/mol
LogP1.83
Rot. Bonds1

About 8-amino-5-(methylamino)-3,4-dihydro-2H-naphthalen-1-one

8-amino-5-(methylamino)-3,4-dihydro-2H-naphthalen-1-one (PubChem CID 155183611) has the molecular formula C11H14N2O and a molecular weight of 190.25 g/mol. Its IUPAC name is 8-amino-5-(methylamino)-3,4-dihydro-2H-naphthalen-1-one.

Molecular Properties

Compound Name8-amino-5-(methylamino)-3,4-dihydro-2H-naphthalen-1-one
PubChem CID155183611
Molecular FormulaC11H14N2O
Molecular Weight190.25 g/mol
Exact Mass190.11
IUPAC Name8-amino-5-(methylamino)-3,4-dihydro-2H-naphthalen-1-one
SMILESCNc1ccc(N)c2c1CCCC2=O
InChIInChI=1S/C11H14N2O/c1-13-9-6-5-8(12)11-7(9)3-2-4-10(11)14/h5-6,13H,2-4,12H2,1H3
InChIKeyLETOKKRYDFZTMK-UHFFFAOYSA-N
XLogP1.83
TPSA55.12 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500190.25
LogP ≤ 51.83
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

4-methyl-7-(methylamino)-2,3-dihydroinden-1-one
CID 158486527
8-amino-6-fluoro-5-methyl-3,4-dihydro-2H-naphthalen-1-one;hydrochloride
CID 155895211
N-(3,4-difluoro-5-oxo-7,8-dihydro-6H-naphthalen-1-yl)acetamide
CID 22449548
5-amino-1-(2-aminoethyl)-8-methyl-2,3-dihydroquinolin-4-one
CID 22449505
4-(methylamino)-5,6,7,8-tetrahydronaphthalene-1-sulfonic acid
CID 142919187
N-methyl-4-propan-2-yl-5,6,7,8-tetrahydronaphthalen-1-amine
CID 144873896
8-amino-6-methyl-3,4-dihydro-2H-naphthalen-1-one
CID 10631089
butyl N-(4-nitro-5-oxo-7,8-dihydro-6H-naphthalen-1-yl)carbamate
CID 178030878
5,8-diethoxy-3,4-dihydro-2H-naphthalen-1-one
CID 13357311
4-amino-8-(methylamino)-9,10-dihydroanthracene-1,5,9,10-tetrol
CID 3022338
(4-acetyloxy-5-oxo-7,8-dihydro-6H-naphthalen-1-yl) acetate
CID 152625052
4-amino-2-phenyl-7,8-dihydro-6H-quinazolin-5-one
CID 10868375

Frequently Asked Questions

What is the IUPAC name of 8-amino-5-(methylamino)-3,4-dihydro-2H-naphthalen-1-one?
The IUPAC name of 8-amino-5-(methylamino)-3,4-dihydro-2H-naphthalen-1-one (CID 155183611) is 8-amino-5-(methylamino)-3,4-dihydro-2H-naphthalen-1-one.
What is the SMILES notation for 8-amino-5-(methylamino)-3,4-dihydro-2H-naphthalen-1-one?
The canonical SMILES for 8-amino-5-(methylamino)-3,4-dihydro-2H-naphthalen-1-one is CNc1ccc(N)c2c1CCCC2=O.
What is the InChIKey of 8-amino-5-(methylamino)-3,4-dihydro-2H-naphthalen-1-one?
The InChIKey is LETOKKRYDFZTMK-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H14N2O/c1-13-9-6-5-8(12)11-7(9)3-2-4-10(11)14/h5-6,13H,2-4,12H2,1H3.
What are the key properties of 8-amino-5-(methylamino)-3,4-dihydro-2H-naphthalen-1-one?
8-amino-5-(methylamino)-3,4-dihydro-2H-naphthalen-1-one has a molecular weight of 190.25 g/mol, XLogP of 1.83, 1 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 8-amino-5-(methylamino)-3,4-dihydro-2H-naphthalen-1-one is sourced from PubChem (CID 155183611), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).