1-[(7S)-7-(dipropylamino)-5,6,7,8-tetrahydronaphthalen-1-yl]ethanone

C18H27NO — CID 10355952

IUPAC1-[(7S)-7-(dipropylamino)-5,6,7,8-tetrahydronaphthalen-1-yl]ethanone
SMILESCCCN(CCC)[C@H]1CCc2cccc(C(C)=O)c2C1
InChIInChI=1S/C18H27NO/c1-4-11-19(12-5-2)16-10-9-15-7-6-8-17(14(3)20)18(15)13-16/h6-8,16H,4-5,9-13H2,1-3H3/t16-/m0/s1
InChIKeySDJCCUJEEKDIBV-INIZCTEOSA-N
MW273.42 g/mol
LogP3.87
Rot. Bonds6

About 1-[(7S)-7-(dipropylamino)-5,6,7,8-tetrahydronaphthalen-1-yl]ethanone

1-[(7S)-7-(dipropylamino)-5,6,7,8-tetrahydronaphthalen-1-yl]ethanone (PubChem CID 10355952) has the molecular formula C18H27NO and a molecular weight of 273.42 g/mol. Its IUPAC name is 1-[(7S)-7-(dipropylamino)-5,6,7,8-tetrahydronaphthalen-1-yl]ethanone.

Molecular Properties

Compound Name1-[(7S)-7-(dipropylamino)-5,6,7,8-tetrahydronaphthalen-1-yl]ethanone
PubChem CID10355952
Molecular FormulaC18H27NO
Molecular Weight273.42 g/mol
Exact Mass273.21
IUPAC Name1-[(7S)-7-(dipropylamino)-5,6,7,8-tetrahydronaphthalen-1-yl]ethanone
SMILESCCCN(CCC)[C@H]1CCc2cccc(C(C)=O)c2C1
InChIInChI=1S/C18H27NO/c1-4-11-19(12-5-2)16-10-9-15-7-6-8-17(14(3)20)18(15)13-16/h6-8,16H,4-5,9-13H2,1-3H3/t16-/m0/s1
InChIKeySDJCCUJEEKDIBV-INIZCTEOSA-N
XLogP3.87
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500273.42
LogP ≤ 53.87
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

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CID 11243002
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1(2H)-Naphthalenone, 2-((dimethylamino)methyl)-3,4-dihydro-, hydrochloride (1:1)
CID 199867
Trimethyl-(3-naphthalen-1-yl-3-oxopropyl)azanium
CID 1518
ZM-39923
CID 3797
1-(3-Methylphenyl)-2-pyrrolidin-1-yl-pentan-1-one
CID 11470616
2-(alpha-Naphthoyl)ethyltrimethylammonium iodide
CID 11957648
8-Acetyl-2-(dipropylamino)tetralin
CID 132276
1-[3-((S)-1-Propyl-piperidin-3-yl)-phenyl]-ethanone
CID 10377227
Dexnafenodone
CID 65834
1(2H)-Naphthalenone, 3,4-dihydro-2-((dimethylamino)methyl)-
CID 23812

Frequently Asked Questions

What is the IUPAC name of 1-[(7S)-7-(dipropylamino)-5,6,7,8-tetrahydronaphthalen-1-yl]ethanone?
The IUPAC name of 1-[(7S)-7-(dipropylamino)-5,6,7,8-tetrahydronaphthalen-1-yl]ethanone (CID 10355952) is 1-[(7S)-7-(dipropylamino)-5,6,7,8-tetrahydronaphthalen-1-yl]ethanone.
What is the SMILES notation for 1-[(7S)-7-(dipropylamino)-5,6,7,8-tetrahydronaphthalen-1-yl]ethanone?
The canonical SMILES for 1-[(7S)-7-(dipropylamino)-5,6,7,8-tetrahydronaphthalen-1-yl]ethanone is CCCN(CCC)[C@H]1CCc2cccc(C(C)=O)c2C1.
What is the InChIKey of 1-[(7S)-7-(dipropylamino)-5,6,7,8-tetrahydronaphthalen-1-yl]ethanone?
The InChIKey is SDJCCUJEEKDIBV-INIZCTEOSA-N. The full InChI is InChI=1S/C18H27NO/c1-4-11-19(12-5-2)16-10-9-15-7-6-8-17(14(3)20)18(15)13-16/h6-8,16H,4-5,9-13H2,1-3H3/t16-/m0/s1.
What are the key properties of 1-[(7S)-7-(dipropylamino)-5,6,7,8-tetrahydronaphthalen-1-yl]ethanone?
1-[(7S)-7-(dipropylamino)-5,6,7,8-tetrahydronaphthalen-1-yl]ethanone has a molecular weight of 273.42 g/mol, XLogP of 3.87, 6 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(7S)-7-(dipropylamino)-5,6,7,8-tetrahydronaphthalen-1-yl]ethanone is sourced from PubChem (CID 10355952), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).