4,4-dimethyl-2-(methylamino)-7-propan-2-yl-2,3-dihydronaphthalen-1-one

C16H23NO — CID 84632031

IUPAC4,4-dimethyl-2-(methylamino)-7-propan-2-yl-2,3-dihydronaphthalen-1-one
SMILESCNC1CC(C)(C)c2ccc(C(C)C)cc2C1=O
InChIInChI=1S/C16H23NO/c1-10(2)11-6-7-13-12(8-11)15(18)14(17-5)9-16(13,3)4/h6-8,10,14,17H,9H2,1-5H3
InChIKeyDZKPRGARYAPOND-UHFFFAOYSA-N
MW245.37 g/mol
LogP3.26
Rot. Bonds2

About 4,4-dimethyl-2-(methylamino)-7-propan-2-yl-2,3-dihydronaphthalen-1-one

4,4-dimethyl-2-(methylamino)-7-propan-2-yl-2,3-dihydronaphthalen-1-one (PubChem CID 84632031) has the molecular formula C16H23NO and a molecular weight of 245.37 g/mol. Its IUPAC name is 4,4-dimethyl-2-(methylamino)-7-propan-2-yl-2,3-dihydronaphthalen-1-one.

Molecular Properties

Compound Name4,4-dimethyl-2-(methylamino)-7-propan-2-yl-2,3-dihydronaphthalen-1-one
PubChem CID84632031
Molecular FormulaC16H23NO
Molecular Weight245.37 g/mol
Exact Mass245.18
IUPAC Name4,4-dimethyl-2-(methylamino)-7-propan-2-yl-2,3-dihydronaphthalen-1-one
SMILESCNC1CC(C)(C)c2ccc(C(C)C)cc2C1=O
InChIInChI=1S/C16H23NO/c1-10(2)11-6-7-13-12(8-11)15(18)14(17-5)9-16(13,3)4/h6-8,10,14,17H,9H2,1-5H3
InChIKeyDZKPRGARYAPOND-UHFFFAOYSA-N
XLogP3.26
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500245.37
LogP ≤ 53.26
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

3,3-dimethyl-6-propan-2-yl-2H-inden-1-one
CID 79837737
6-propan-2-ylspiro[2H-indene-3,1'-cyclopropane]-1-one
CID 83753374
2-(1-methyl-3-oxo-5-propan-2-yl-2H-inden-1-yl)acetic acid
CID 82159460
methyl (1R,4aS,10R,10aS)-10-bromo-1,4a-dimethyl-9-oxo-7-propan-2-yl-3,4,10,10a-tetrahydro-2H-phenanthrene-1-carboxylate
CID 92522923
6-butan-2-yl-3,3-dimethyl-2H-inden-1-one
CID 79837924
4,4-difluoro-7-propan-2-yl-2,3-dihydroisoquinolin-1-one
CID 164878038
2-bromo-6-propan-2-yl-2,3-dihydroinden-1-one
CID 82024141
(1S,4aS,10aR)-1,4a-dimethyl-9-oxo-7-propan-2-yl-3,4,10,10a-tetrahydro-2H-phenanthrene-1-carbaldehyde
CID 101109039
methyl (1R,4aS)-1,4a-dimethyl-9-oxo-7-propan-2-yl-3,4,10,10a-tetrahydro-2H-phenanthrene-1-carboxylate
CID 6710737
9,9,10,10-tetramethyl-2,6-di(propan-2-yl)anthracene
CID 59611136
ethane;2-methyl-6-propan-2-yl-3H-isoindol-1-one
CID 164902233
(1S,4aS)-1-(hydroxymethyl)-1,4a-dimethyl-7-propan-2-yl-3,4,10,10a-tetrahydrophenanthrene-2,9-dione
CID 10543293

Frequently Asked Questions

What is the IUPAC name of 4,4-dimethyl-2-(methylamino)-7-propan-2-yl-2,3-dihydronaphthalen-1-one?
The IUPAC name of 4,4-dimethyl-2-(methylamino)-7-propan-2-yl-2,3-dihydronaphthalen-1-one (CID 84632031) is 4,4-dimethyl-2-(methylamino)-7-propan-2-yl-2,3-dihydronaphthalen-1-one.
What is the SMILES notation for 4,4-dimethyl-2-(methylamino)-7-propan-2-yl-2,3-dihydronaphthalen-1-one?
The canonical SMILES for 4,4-dimethyl-2-(methylamino)-7-propan-2-yl-2,3-dihydronaphthalen-1-one is CNC1CC(C)(C)c2ccc(C(C)C)cc2C1=O.
What is the InChIKey of 4,4-dimethyl-2-(methylamino)-7-propan-2-yl-2,3-dihydronaphthalen-1-one?
The InChIKey is DZKPRGARYAPOND-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H23NO/c1-10(2)11-6-7-13-12(8-11)15(18)14(17-5)9-16(13,3)4/h6-8,10,14,17H,9H2,1-5H3.
What are the key properties of 4,4-dimethyl-2-(methylamino)-7-propan-2-yl-2,3-dihydronaphthalen-1-one?
4,4-dimethyl-2-(methylamino)-7-propan-2-yl-2,3-dihydronaphthalen-1-one has a molecular weight of 245.37 g/mol, XLogP of 3.26, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4,4-dimethyl-2-(methylamino)-7-propan-2-yl-2,3-dihydronaphthalen-1-one is sourced from PubChem (CID 84632031), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).