1-[4,5-bis(dimethylamino)naphthalen-1-yl]ethanone

C16H20N2O — CID 685108

IUPAC1-[4,5-bis(dimethylamino)naphthalen-1-yl]ethanone
SMILESCC(=O)c1ccc(N(C)C)c2c(N(C)C)cccc12
InChIInChI=1S/C16H20N2O/c1-11(19)12-9-10-15(18(4)5)16-13(12)7-6-8-14(16)17(2)3/h6-10H,1-5H3
InChIKeyHFWWAGBASRAYLW-UHFFFAOYSA-N
MW256.35 g/mol
LogP3.17
Rot. Bonds3

About 1-[4,5-bis(dimethylamino)naphthalen-1-yl]ethanone

1-[4,5-bis(dimethylamino)naphthalen-1-yl]ethanone (PubChem CID 685108) has the molecular formula C16H20N2O and a molecular weight of 256.35 g/mol. Its IUPAC name is 1-[4,5-bis(dimethylamino)naphthalen-1-yl]ethanone.

Molecular Properties

Compound Name1-[4,5-bis(dimethylamino)naphthalen-1-yl]ethanone
PubChem CID685108
Molecular FormulaC16H20N2O
Molecular Weight256.35 g/mol
Exact Mass256.16
IUPAC Name1-[4,5-bis(dimethylamino)naphthalen-1-yl]ethanone
SMILESCC(=O)c1ccc(N(C)C)c2c(N(C)C)cccc12
InChIInChI=1S/C16H20N2O/c1-11(19)12-9-10-15(18(4)5)16-13(12)7-6-8-14(16)17(2)3/h6-10H,1-5H3
InChIKeyHFWWAGBASRAYLW-UHFFFAOYSA-N
XLogP3.17
TPSA23.55 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500256.35
LogP ≤ 53.17
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-[4,5-bis(dimethylamino)naphthalen-1-yl]ethanone?
The IUPAC name of 1-[4,5-bis(dimethylamino)naphthalen-1-yl]ethanone (CID 685108) is 1-[4,5-bis(dimethylamino)naphthalen-1-yl]ethanone.
What is the SMILES notation for 1-[4,5-bis(dimethylamino)naphthalen-1-yl]ethanone?
The canonical SMILES for 1-[4,5-bis(dimethylamino)naphthalen-1-yl]ethanone is CC(=O)c1ccc(N(C)C)c2c(N(C)C)cccc12.
What is the InChIKey of 1-[4,5-bis(dimethylamino)naphthalen-1-yl]ethanone?
The InChIKey is HFWWAGBASRAYLW-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H20N2O/c1-11(19)12-9-10-15(18(4)5)16-13(12)7-6-8-14(16)17(2)3/h6-10H,1-5H3.
What are the key properties of 1-[4,5-bis(dimethylamino)naphthalen-1-yl]ethanone?
1-[4,5-bis(dimethylamino)naphthalen-1-yl]ethanone has a molecular weight of 256.35 g/mol, XLogP of 3.17, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4,5-bis(dimethylamino)naphthalen-1-yl]ethanone is sourced from PubChem (CID 685108), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).