7-(dipropylamino)-5,6,7,8-tetrahydronaphthalen-1-ol;hydrobromide

C16H26BrNO — CID 6917794

IUPAC7-(dipropylamino)-5,6,7,8-tetrahydronaphthalen-1-ol;hydrobromide
SMILESBr.CCCN(CCC)C1CCc2cccc(O)c2C1
InChIInChI=1S/C16H25NO.BrH/c1-3-10-17(11-4-2)14-9-8-13-6-5-7-16(18)15(13)12-14;/h5-7,14,18H,3-4,8-12H2,1-2H3;1H
InChIKeyBATPBOZTBNNDLN-UHFFFAOYSA-N
MW328.29 g/mol
LogP3.95
Rot. Bonds5

About 7-(dipropylamino)-5,6,7,8-tetrahydronaphthalen-1-ol;hydrobromide

7-(dipropylamino)-5,6,7,8-tetrahydronaphthalen-1-ol;hydrobromide (PubChem CID 6917794) has the molecular formula C16H26BrNO and a molecular weight of 328.29 g/mol. Its IUPAC name is 7-(dipropylamino)-5,6,7,8-tetrahydronaphthalen-1-ol;hydrobromide.

Molecular Properties

Compound Name7-(dipropylamino)-5,6,7,8-tetrahydronaphthalen-1-ol;hydrobromide
PubChem CID6917794
Molecular FormulaC16H26BrNO
Molecular Weight328.29 g/mol
Exact Mass327.12
IUPAC Name7-(dipropylamino)-5,6,7,8-tetrahydronaphthalen-1-ol;hydrobromide
SMILESBr.CCCN(CCC)C1CCc2cccc(O)c2C1
InChIInChI=1S/C16H25NO.BrH/c1-3-10-17(11-4-2)14-9-8-13-6-5-7-16(18)15(13)12-14;/h5-7,14,18H,3-4,8-12H2,1-2H3;1H
InChIKeyBATPBOZTBNNDLN-UHFFFAOYSA-N
XLogP3.95
TPSA23.47 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500328.29
LogP ≤ 53.95
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-tetrahydronaphthalen-1-ol;hydrobromide?
The IUPAC name of 7-(dipropylamino)-5,6,7,8-tetrahydronaphthalen-1-ol;hydrobromide (CID 6917794) is 7-(dipropylamino)-5,6,7,8-tetrahydronaphthalen-1-ol;hydrobromide.
What is the SMILES notation for 7-(dipropylamino)-5,6,7,8-tetrahydronaphthalen-1-ol;hydrobromide?
The canonical SMILES for 7-(dipropylamino)-5,6,7,8-tetrahydronaphthalen-1-ol;hydrobromide is Br.CCCN(CCC)C1CCc2cccc(O)c2C1.
What is the InChIKey of 7-(dipropylamino)-5,6,7,8-tetrahydronaphthalen-1-ol;hydrobromide?
The InChIKey is BATPBOZTBNNDLN-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H25NO.BrH/c1-3-10-17(11-4-2)14-9-8-13-6-5-7-16(18)15(13)12-14;/h5-7,14,18H,3-4,8-12H2,1-2H3;1H.
What are the key properties of 7-(dipropylamino)-5,6,7,8-tetrahydronaphthalen-1-ol;hydrobromide?
7-(dipropylamino)-5,6,7,8-tetrahydronaphthalen-1-ol;hydrobromide has a molecular weight of 328.29 g/mol, XLogP of 3.95, 5 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-tetrahydronaphthalen-1-ol;hydrobromide is sourced from PubChem (CID 6917794), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).