5-(dimethylamino)-1-(6-methoxynaphthalen-2-yl)pentan-1-one

C18H23NO2 — CID 59200508

IUPAC5-(dimethylamino)-1-(6-methoxynaphthalen-2-yl)pentan-1-one
SMILESCOc1ccc2cc(C(=O)CCCCN(C)C)ccc2c1
InChIInChI=1S/C18H23NO2/c1-19(2)11-5-4-6-18(20)16-8-7-15-13-17(21-3)10-9-14(15)12-16/h7-10,12-13H,4-6,11H2,1-3H3
InChIKeyXZIONEKKXWRJSM-UHFFFAOYSA-N
MW285.39 g/mol
LogP3.76
Rot. Bonds7

About 5-(dimethylamino)-1-(6-methoxynaphthalen-2-yl)pentan-1-one

5-(dimethylamino)-1-(6-methoxynaphthalen-2-yl)pentan-1-one (PubChem CID 59200508) has the molecular formula C18H23NO2 and a molecular weight of 285.39 g/mol. Its IUPAC name is 5-(dimethylamino)-1-(6-methoxynaphthalen-2-yl)pentan-1-one.

Molecular Properties

Compound Name5-(dimethylamino)-1-(6-methoxynaphthalen-2-yl)pentan-1-one
PubChem CID59200508
Molecular FormulaC18H23NO2
Molecular Weight285.39 g/mol
Exact Mass285.17
IUPAC Name5-(dimethylamino)-1-(6-methoxynaphthalen-2-yl)pentan-1-one
SMILESCOc1ccc2cc(C(=O)CCCCN(C)C)ccc2c1
InChIInChI=1S/C18H23NO2/c1-19(2)11-5-4-6-18(20)16-8-7-15-13-17(21-3)10-9-14(15)12-16/h7-10,12-13H,4-6,11H2,1-3H3
InChIKeyXZIONEKKXWRJSM-UHFFFAOYSA-N
XLogP3.76
TPSA29.54 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500285.39
LogP ≤ 53.76
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

3-(dimethylamino)-1-(6-methoxynaphthalen-2-yl)propan-1-one;hydrochloride
CID 2751547
1-(6-methoxynaphthalen-2-yl)tetradecan-1-one
CID 608289
4-bromo-1-(6-methoxynaphthalen-2-yl)butan-1-one
CID 146007341
3-amino-1-(6-methoxynaphthalen-2-yl)propan-1-one
CID 116915440
1,9-bis(4-methoxyphenyl)nonane-1,9-dione
CID 3499009
5-(dimethylamino)-1-[7-[5-(dimethylamino)pentanoyl]-9H-fluoren-2-yl]pentan-1-one
CID 515308
6-methoxynaphthalene-2-carbaldehyde;1-(6-methoxynaphthalen-2-yl)heptan-1-one
CID 157305755
1,5-bis(6-methoxynaphthalen-2-yl)-3-[2-(6-methoxynaphthalen-2-yl)-2-oxoethyl]pentane-1,5-dione
CID 10793824
[2-(6-methoxynaphthalen-2-yl)-2-oxoethyl]azanium chloride
CID 141138578
4-(dimethylamino)-1-[4-[4-(dimethylamino)butanoyl]phenyl]butan-1-one
CID 15284079
1-(6-methoxynaphthalen-2-yl)-3-phenylpropane-1,3-dione
CID 102495157
1-(6-methoxynaphthalen-2-yl)-2-(4-methylphenyl)ethanone
CID 135061178

Frequently Asked Questions

What is the IUPAC name of 5-(dimethylamino)-1-(6-methoxynaphthalen-2-yl)pentan-1-one?
The IUPAC name of 5-(dimethylamino)-1-(6-methoxynaphthalen-2-yl)pentan-1-one (CID 59200508) is 5-(dimethylamino)-1-(6-methoxynaphthalen-2-yl)pentan-1-one.
What is the SMILES notation for 5-(dimethylamino)-1-(6-methoxynaphthalen-2-yl)pentan-1-one?
The canonical SMILES for 5-(dimethylamino)-1-(6-methoxynaphthalen-2-yl)pentan-1-one is COc1ccc2cc(C(=O)CCCCN(C)C)ccc2c1.
What is the InChIKey of 5-(dimethylamino)-1-(6-methoxynaphthalen-2-yl)pentan-1-one?
The InChIKey is XZIONEKKXWRJSM-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H23NO2/c1-19(2)11-5-4-6-18(20)16-8-7-15-13-17(21-3)10-9-14(15)12-16/h7-10,12-13H,4-6,11H2,1-3H3.
What are the key properties of 5-(dimethylamino)-1-(6-methoxynaphthalen-2-yl)pentan-1-one?
5-(dimethylamino)-1-(6-methoxynaphthalen-2-yl)pentan-1-one has a molecular weight of 285.39 g/mol, XLogP of 3.76, 7 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(dimethylamino)-1-(6-methoxynaphthalen-2-yl)pentan-1-one is sourced from PubChem (CID 59200508), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).