7-(dipropylamino)-5,6,7,8-tetrahydronaphthalene-1-carboxylic acid

C17H25NO2 — CID 10378687

IUPAC7-(dipropylamino)-5,6,7,8-tetrahydronaphthalene-1-carboxylic acid
SMILESCCCN(CCC)C1CCc2cccc(C(=O)O)c2C1
InChIInChI=1S/C17H25NO2/c1-3-10-18(11-4-2)14-9-8-13-6-5-7-15(17(19)20)16(13)12-14/h5-7,14H,3-4,8-12H2,1-2H3,(H,19,20)
InChIKeyZMAPYOVSTJPKMC-UHFFFAOYSA-N
MW275.39 g/mol
LogP3.36
Rot. Bonds6

About 7-(dipropylamino)-5,6,7,8-tetrahydronaphthalene-1-carboxylic acid

7-(dipropylamino)-5,6,7,8-tetrahydronaphthalene-1-carboxylic acid (PubChem CID 10378687) has the molecular formula C17H25NO2 and a molecular weight of 275.39 g/mol. Its IUPAC name is 7-(dipropylamino)-5,6,7,8-tetrahydronaphthalene-1-carboxylic acid.

Molecular Properties

Compound Name7-(dipropylamino)-5,6,7,8-tetrahydronaphthalene-1-carboxylic acid
PubChem CID10378687
Molecular FormulaC17H25NO2
Molecular Weight275.39 g/mol
Exact Mass275.19
IUPAC Name7-(dipropylamino)-5,6,7,8-tetrahydronaphthalene-1-carboxylic acid
SMILESCCCN(CCC)C1CCc2cccc(C(=O)O)c2C1
InChIInChI=1S/C17H25NO2/c1-3-10-18(11-4-2)14-9-8-13-6-5-7-15(17(19)20)16(13)12-14/h5-7,14H,3-4,8-12H2,1-2H3,(H,19,20)
InChIKeyZMAPYOVSTJPKMC-UHFFFAOYSA-N
XLogP3.36
TPSA40.54 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500275.39
LogP ≤ 53.36
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 7-(dipropylamino)-5,6,7,8-tetrahydronaphthalene-1-carboxylic acid?
The IUPAC name of 7-(dipropylamino)-5,6,7,8-tetrahydronaphthalene-1-carboxylic acid (CID 10378687) is 7-(dipropylamino)-5,6,7,8-tetrahydronaphthalene-1-carboxylic acid.
What is the SMILES notation for 7-(dipropylamino)-5,6,7,8-tetrahydronaphthalene-1-carboxylic acid?
The canonical SMILES for 7-(dipropylamino)-5,6,7,8-tetrahydronaphthalene-1-carboxylic acid is CCCN(CCC)C1CCc2cccc(C(=O)O)c2C1.
What is the InChIKey of 7-(dipropylamino)-5,6,7,8-tetrahydronaphthalene-1-carboxylic acid?
The InChIKey is ZMAPYOVSTJPKMC-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H25NO2/c1-3-10-18(11-4-2)14-9-8-13-6-5-7-15(17(19)20)16(13)12-14/h5-7,14H,3-4,8-12H2,1-2H3,(H,19,20).
What are the key properties of 7-(dipropylamino)-5,6,7,8-tetrahydronaphthalene-1-carboxylic acid?
7-(dipropylamino)-5,6,7,8-tetrahydronaphthalene-1-carboxylic acid has a molecular weight of 275.39 g/mol, XLogP of 3.36, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 7-(dipropylamino)-5,6,7,8-tetrahydronaphthalene-1-carboxylic acid is sourced from PubChem (CID 10378687), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).