1-[6-(dimethylamino)naphthalen-2-yl]propan-1-one;propane

C18H25NO — CID 66749463

IUPAC1-[6-(dimethylamino)naphthalen-2-yl]propan-1-one;propane
SMILESCCC.CCC(=O)c1ccc2cc(N(C)C)ccc2c1
InChIInChI=1S/C15H17NO.C3H8/c1-4-15(17)13-6-5-12-10-14(16(2)3)8-7-11(12)9-13;1-3-2/h5-10H,4H2,1-3H3;3H2,1-2H3
InChIKeyNKESRZQFHIOWHU-UHFFFAOYSA-N
MW271.40 g/mol
LogP4.91
Rot. Bonds3

About 1-[6-(dimethylamino)naphthalen-2-yl]propan-1-one;propane

1-[6-(dimethylamino)naphthalen-2-yl]propan-1-one;propane (PubChem CID 66749463) has the molecular formula C18H25NO and a molecular weight of 271.40 g/mol. Its IUPAC name is 1-[6-(dimethylamino)naphthalen-2-yl]propan-1-one;propane.

Molecular Properties

Compound Name1-[6-(dimethylamino)naphthalen-2-yl]propan-1-one;propane
PubChem CID66749463
Molecular FormulaC18H25NO
Molecular Weight271.40 g/mol
Exact Mass271.19
IUPAC Name1-[6-(dimethylamino)naphthalen-2-yl]propan-1-one;propane
SMILESCCC.CCC(=O)c1ccc2cc(N(C)C)ccc2c1
InChIInChI=1S/C15H17NO.C3H8/c1-4-15(17)13-6-5-12-10-14(16(2)3)8-7-11(12)9-13;1-3-2/h5-10H,4H2,1-3H3;3H2,1-2H3
InChIKeyNKESRZQFHIOWHU-UHFFFAOYSA-N
XLogP4.91
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500271.40
LogP ≤ 54.91
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

1-[6-[bis(trideuteriomethyl)amino]naphthalen-2-yl]propan-1-one
CID 71751796
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
14-[6-(dimethylamino)naphthalen-2-yl]-14-oxotetradecanenitrile
CID 11372781
1-[4-[[4-(dimethylamino)phenyl]diazenyl]phenyl]propan-1-one
CID 58678925
1-[6-(dimethylamino)-5-propylnaphthalen-2-yl]propan-1-one
CID 66779326
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
1-[4-[hydroxymethyl(methyl)amino]phenyl]propan-1-one
CID 142257739

Frequently Asked Questions

What is the IUPAC name of 1-[6-(dimethylamino)naphthalen-2-yl]propan-1-one;propane?
The IUPAC name of 1-[6-(dimethylamino)naphthalen-2-yl]propan-1-one;propane (CID 66749463) is 1-[6-(dimethylamino)naphthalen-2-yl]propan-1-one;propane.
What is the SMILES notation for 1-[6-(dimethylamino)naphthalen-2-yl]propan-1-one;propane?
The canonical SMILES for 1-[6-(dimethylamino)naphthalen-2-yl]propan-1-one;propane is CCC.CCC(=O)c1ccc2cc(N(C)C)ccc2c1.
What is the InChIKey of 1-[6-(dimethylamino)naphthalen-2-yl]propan-1-one;propane?
The InChIKey is NKESRZQFHIOWHU-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H17NO.C3H8/c1-4-15(17)13-6-5-12-10-14(16(2)3)8-7-11(12)9-13;1-3-2/h5-10H,4H2,1-3H3;3H2,1-2H3.
What are the key properties of 1-[6-(dimethylamino)naphthalen-2-yl]propan-1-one;propane?
1-[6-(dimethylamino)naphthalen-2-yl]propan-1-one;propane has a molecular weight of 271.40 g/mol, XLogP of 4.91, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[6-(dimethylamino)naphthalen-2-yl]propan-1-one;propane is sourced from PubChem (CID 66749463), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).