1-[7-(dipropylamino)-5,6,7,8-tetrahydronaphthalen-1-yl]pentan-1-one

C21H33NO — CID 10087077

IUPAC1-[7-(dipropylamino)-5,6,7,8-tetrahydronaphthalen-1-yl]pentan-1-one
SMILESCCCCC(=O)c1cccc2c1CC(N(CCC)CCC)CC2
InChIInChI=1S/C21H33NO/c1-4-7-11-21(23)19-10-8-9-17-12-13-18(16-20(17)19)22(14-5-2)15-6-3/h8-10,18H,4-7,11-16H2,1-3H3
InChIKeyXWVGDWKTRWOHSH-UHFFFAOYSA-N
MW315.50 g/mol
LogP5.04
Rot. Bonds9

About 1-[7-(dipropylamino)-5,6,7,8-tetrahydronaphthalen-1-yl]pentan-1-one

1-[7-(dipropylamino)-5,6,7,8-tetrahydronaphthalen-1-yl]pentan-1-one (PubChem CID 10087077) has the molecular formula C21H33NO and a molecular weight of 315.50 g/mol. Its IUPAC name is 1-[7-(dipropylamino)-5,6,7,8-tetrahydronaphthalen-1-yl]pentan-1-one.

Molecular Properties

Compound Name1-[7-(dipropylamino)-5,6,7,8-tetrahydronaphthalen-1-yl]pentan-1-one
PubChem CID10087077
Molecular FormulaC21H33NO
Molecular Weight315.50 g/mol
Exact Mass315.26
IUPAC Name1-[7-(dipropylamino)-5,6,7,8-tetrahydronaphthalen-1-yl]pentan-1-one
SMILESCCCCC(=O)c1cccc2c1CC(N(CCC)CCC)CC2
InChIInChI=1S/C21H33NO/c1-4-7-11-21(23)19-10-8-9-17-12-13-18(16-20(17)19)22(14-5-2)15-6-3/h8-10,18H,4-7,11-16H2,1-3H3
InChIKeyXWVGDWKTRWOHSH-UHFFFAOYSA-N
XLogP5.04
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds9
Heavy Atoms23
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500315.50
LogP ≤ 55.04
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1-[7-(dipropylamino)-5,6,7,8-tetrahydronaphthalen-1-yl]pentan-1-one?
The IUPAC name of 1-[7-(dipropylamino)-5,6,7,8-tetrahydronaphthalen-1-yl]pentan-1-one (CID 10087077) is 1-[7-(dipropylamino)-5,6,7,8-tetrahydronaphthalen-1-yl]pentan-1-one.
What is the SMILES notation for 1-[7-(dipropylamino)-5,6,7,8-tetrahydronaphthalen-1-yl]pentan-1-one?
The canonical SMILES for 1-[7-(dipropylamino)-5,6,7,8-tetrahydronaphthalen-1-yl]pentan-1-one is CCCCC(=O)c1cccc2c1CC(N(CCC)CCC)CC2.
What is the InChIKey of 1-[7-(dipropylamino)-5,6,7,8-tetrahydronaphthalen-1-yl]pentan-1-one?
The InChIKey is XWVGDWKTRWOHSH-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H33NO/c1-4-7-11-21(23)19-10-8-9-17-12-13-18(16-20(17)19)22(14-5-2)15-6-3/h8-10,18H,4-7,11-16H2,1-3H3.
What are the key properties of 1-[7-(dipropylamino)-5,6,7,8-tetrahydronaphthalen-1-yl]pentan-1-one?
1-[7-(dipropylamino)-5,6,7,8-tetrahydronaphthalen-1-yl]pentan-1-one has a molecular weight of 315.50 g/mol, XLogP of 5.04, 9 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[7-(dipropylamino)-5,6,7,8-tetrahydronaphthalen-1-yl]pentan-1-one is sourced from PubChem (CID 10087077), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).