1-[6-(dimethylamino)naphthalen-2-yl]heptan-1-one

C19H25NO — CID 172711928

IUPAC1-[6-(dimethylamino)naphthalen-2-yl]heptan-1-one
SMILESCCCCCCC(=O)c1ccc2cc(N(C)C)ccc2c1
InChIInChI=1S/C19H25NO/c1-4-5-6-7-8-19(21)17-10-9-16-14-18(20(2)3)12-11-15(16)13-17/h9-14H,4-8H2,1-3H3
InChIKeyFJBGCLRRHZOZOC-UHFFFAOYSA-N
MW283.42 g/mol
LogP5.06
Rot. Bonds7

About 1-[6-(dimethylamino)naphthalen-2-yl]heptan-1-one

1-[6-(dimethylamino)naphthalen-2-yl]heptan-1-one (PubChem CID 172711928) has the molecular formula C19H25NO and a molecular weight of 283.42 g/mol. Its IUPAC name is 1-[6-(dimethylamino)naphthalen-2-yl]heptan-1-one.

Molecular Properties

Compound Name1-[6-(dimethylamino)naphthalen-2-yl]heptan-1-one
PubChem CID172711928
Molecular FormulaC19H25NO
Molecular Weight283.42 g/mol
Exact Mass283.19
IUPAC Name1-[6-(dimethylamino)naphthalen-2-yl]heptan-1-one
SMILESCCCCCCC(=O)c1ccc2cc(N(C)C)ccc2c1
InChIInChI=1S/C19H25NO/c1-4-5-6-7-8-19(21)17-10-9-16-14-18(20(2)3)12-11-15(16)13-17/h9-14H,4-8H2,1-3H3
InChIKeyFJBGCLRRHZOZOC-UHFFFAOYSA-N
XLogP5.06
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500283.42
LogP ≤ 55.06
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

2-[(6-hexadecanoylnaphthalen-2-yl)-methylamino]ethyl-trimethylazanium chloride
CID 2762653
14-[6-(dimethylamino)naphthalen-2-yl]-14-oxotetradecanenitrile
CID 11372781
1-(6-hydroxynaphthalen-2-yl)dodecan-1-one
CID 68907241
1-[6-(dimethylamino)naphthalen-2-yl]propan-1-one;propane
CID 66749463
1-[6-(methylamino)naphthalen-2-yl]dodecan-1-one
CID 68906004
1-[6-(dimethylamino)naphthalen-2-yl]-2-hydroxyethanone
CID 177451598
1-(6-methoxynaphthalen-2-yl)tetradecan-1-one
CID 608289
1-(2,5,8,11-tetraoxatricyclo[10.8.0.014,19]icosa-1(12),13,15,17,19-pentaen-16-yl)octan-1-one
CID 102066958
1-(4-tetradecanoylphenyl)tetradecan-1-one
CID 59518381
1-[6-[2-[6-[2-(6-hexanoylnaphthalen-2-yl)ethenyl]anthracen-2-yl]ethenyl]naphthalen-2-yl]hexan-1-one
CID 76589950
1-(6-butanoylnaphthalen-2-yl)butan-1-one
CID 170450514
N-methyl-N-(4-octanoylphenyl)formamide
CID 43340831

Frequently Asked Questions

What is the IUPAC name of 1-[6-(dimethylamino)naphthalen-2-yl]heptan-1-one?
The IUPAC name of 1-[6-(dimethylamino)naphthalen-2-yl]heptan-1-one (CID 172711928) is 1-[6-(dimethylamino)naphthalen-2-yl]heptan-1-one.
What is the SMILES notation for 1-[6-(dimethylamino)naphthalen-2-yl]heptan-1-one?
The canonical SMILES for 1-[6-(dimethylamino)naphthalen-2-yl]heptan-1-one is CCCCCCC(=O)c1ccc2cc(N(C)C)ccc2c1.
What is the InChIKey of 1-[6-(dimethylamino)naphthalen-2-yl]heptan-1-one?
The InChIKey is FJBGCLRRHZOZOC-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H25NO/c1-4-5-6-7-8-19(21)17-10-9-16-14-18(20(2)3)12-11-15(16)13-17/h9-14H,4-8H2,1-3H3.
What are the key properties of 1-[6-(dimethylamino)naphthalen-2-yl]heptan-1-one?
1-[6-(dimethylamino)naphthalen-2-yl]heptan-1-one has a molecular weight of 283.42 g/mol, XLogP of 5.06, 7 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]heptan-1-one is sourced from PubChem (CID 172711928), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).