1-[6-[bis(trideuteriomethyl)amino]naphthalen-2-yl]propan-1-one

C15H17NO — CID 71751796

IUPAC1-[6-[bis(trideuteriomethyl)amino]naphthalen-2-yl]propan-1-one
SMILES[2H]C([2H])([2H])N(c1ccc2cc(C(=O)CC)ccc2c1)C([2H])([2H])[2H]
InChIInChI=1S/C15H17NO/c1-4-15(17)13-6-5-12-10-14(16(2)3)8-7-11(12)9-13/h5-10H,4H2,1-3H3/i2D3,3D3
InChIKeyMPPQGYCZBNURDG-XERRXZQWSA-N
MW233.34 g/mol
LogP3.50
Rot. Bonds5

About 1-[6-[bis(trideuteriomethyl)amino]naphthalen-2-yl]propan-1-one

1-[6-[bis(trideuteriomethyl)amino]naphthalen-2-yl]propan-1-one (PubChem CID 71751796) has the molecular formula C15H17NO and a molecular weight of 233.34 g/mol. Its IUPAC name is 1-[6-[bis(trideuteriomethyl)amino]naphthalen-2-yl]propan-1-one.

Molecular Properties

Compound Name1-[6-[bis(trideuteriomethyl)amino]naphthalen-2-yl]propan-1-one
PubChem CID71751796
Molecular FormulaC15H17NO
Molecular Weight233.34 g/mol
Exact Mass233.17
IUPAC Name1-[6-[bis(trideuteriomethyl)amino]naphthalen-2-yl]propan-1-one
SMILES[2H]C([2H])([2H])N(c1ccc2cc(C(=O)CC)ccc2c1)C([2H])([2H])[2H]
InChIInChI=1S/C15H17NO/c1-4-15(17)13-6-5-12-10-14(16(2)3)8-7-11(12)9-13/h5-10H,4H2,1-3H3/i2D3,3D3
InChIKeyMPPQGYCZBNURDG-XERRXZQWSA-N
XLogP3.50
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500233.34
LogP ≤ 53.50
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

1-[6-(dimethylamino)naphthalen-2-yl]propan-1-one;propane
CID 66749463
1-[6-(dimethylamino)naphthalen-2-yl]-2-hydroxyethanone
CID 177451598
1-[6-(dimethylamino)naphthalen-2-yl]heptan-1-one
CID 172711928
1-[6-(dimethylamino)naphthalen-2-yl]ethanone
CID 15333970
2-azido-1-[6-(dimethylamino)naphthalen-2-yl]ethanone
CID 86052443
1-[3-(dimethylamino)phenyl]propan-1-one;hydrochloride
CID 18686743
1-(6-butanoylnaphthalen-2-yl)butan-1-one
CID 170450514
1-[6-[bis(5-methyl-2-propan-2-ylcyclohexyl)amino]naphthalen-2-yl]propan-1-one
CID 22413256
14-[6-(dimethylamino)naphthalen-2-yl]-14-oxotetradecanenitrile
CID 11372781
1-[6-(dimethylamino)-5-propylnaphthalen-2-yl]propan-1-one
CID 66779326
1-[4-[hydroxymethyl(methyl)amino]phenyl]propan-1-one
CID 142257739
1-[4-[[4-(dimethylamino)phenyl]diazenyl]phenyl]propan-1-one
CID 58678925

Frequently Asked Questions

What is the IUPAC name of 1-[6-[bis(trideuteriomethyl)amino]naphthalen-2-yl]propan-1-one?
The IUPAC name of 1-[6-[bis(trideuteriomethyl)amino]naphthalen-2-yl]propan-1-one (CID 71751796) is 1-[6-[bis(trideuteriomethyl)amino]naphthalen-2-yl]propan-1-one.
What is the SMILES notation for 1-[6-[bis(trideuteriomethyl)amino]naphthalen-2-yl]propan-1-one?
The canonical SMILES for 1-[6-[bis(trideuteriomethyl)amino]naphthalen-2-yl]propan-1-one is [2H]C([2H])([2H])N(c1ccc2cc(C(=O)CC)ccc2c1)C([2H])([2H])[2H].
What is the InChIKey of 1-[6-[bis(trideuteriomethyl)amino]naphthalen-2-yl]propan-1-one?
The InChIKey is MPPQGYCZBNURDG-XERRXZQWSA-N. The full InChI is InChI=1S/C15H17NO/c1-4-15(17)13-6-5-12-10-14(16(2)3)8-7-11(12)9-13/h5-10H,4H2,1-3H3/i2D3,3D3.
What are the key properties of 1-[6-[bis(trideuteriomethyl)amino]naphthalen-2-yl]propan-1-one?
1-[6-[bis(trideuteriomethyl)amino]naphthalen-2-yl]propan-1-one has a molecular weight of 233.34 g/mol, XLogP of 3.50, 5 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[6-[bis(trideuteriomethyl)amino]naphthalen-2-yl]propan-1-one is sourced from PubChem (CID 71751796), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).