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

C18H30BrNO — CID 12581200

IUPAC6-(dibutylamino)-5,6,7,8-tetrahydronaphthalen-1-ol;hydrobromide
SMILESBr.CCCCN(CCCC)C1CCc2c(O)cccc2C1
InChIInChI=1S/C18H29NO.BrH/c1-3-5-12-19(13-6-4-2)16-10-11-17-15(14-16)8-7-9-18(17)20;/h7-9,16,20H,3-6,10-14H2,1-2H3;1H
InChIKeySJGJWCVEVADNIP-UHFFFAOYSA-N
MW356.35 g/mol
LogP4.73
Rot. Bonds7

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

6-(dibutylamino)-5,6,7,8-tetrahydronaphthalen-1-ol;hydrobromide (PubChem CID 12581200) has the molecular formula C18H30BrNO and a molecular weight of 356.35 g/mol. Its IUPAC name is 6-(dibutylamino)-5,6,7,8-tetrahydronaphthalen-1-ol;hydrobromide.

Molecular Properties

Compound Name6-(dibutylamino)-5,6,7,8-tetrahydronaphthalen-1-ol;hydrobromide
PubChem CID12581200
Molecular FormulaC18H30BrNO
Molecular Weight356.35 g/mol
Exact Mass355.15
IUPAC Name6-(dibutylamino)-5,6,7,8-tetrahydronaphthalen-1-ol;hydrobromide
SMILESBr.CCCCN(CCCC)C1CCc2c(O)cccc2C1
InChIInChI=1S/C18H29NO.BrH/c1-3-5-12-19(13-6-4-2)16-10-11-17-15(14-16)8-7-9-18(17)20;/h7-9,16,20H,3-6,10-14H2,1-2H3;1H
InChIKeySJGJWCVEVADNIP-UHFFFAOYSA-N
XLogP4.73
TPSA23.47 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500356.35
LogP ≤ 54.73
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 6-(dibutylamino)-5,6,7,8-tetrahydronaphthalen-1-ol;hydrobromide?
The IUPAC name of 6-(dibutylamino)-5,6,7,8-tetrahydronaphthalen-1-ol;hydrobromide (CID 12581200) is 6-(dibutylamino)-5,6,7,8-tetrahydronaphthalen-1-ol;hydrobromide.
What is the SMILES notation for 6-(dibutylamino)-5,6,7,8-tetrahydronaphthalen-1-ol;hydrobromide?
The canonical SMILES for 6-(dibutylamino)-5,6,7,8-tetrahydronaphthalen-1-ol;hydrobromide is Br.CCCCN(CCCC)C1CCc2c(O)cccc2C1.
What is the InChIKey of 6-(dibutylamino)-5,6,7,8-tetrahydronaphthalen-1-ol;hydrobromide?
The InChIKey is SJGJWCVEVADNIP-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H29NO.BrH/c1-3-5-12-19(13-6-4-2)16-10-11-17-15(14-16)8-7-9-18(17)20;/h7-9,16,20H,3-6,10-14H2,1-2H3;1H.
What are the key properties of 6-(dibutylamino)-5,6,7,8-tetrahydronaphthalen-1-ol;hydrobromide?
6-(dibutylamino)-5,6,7,8-tetrahydronaphthalen-1-ol;hydrobromide has a molecular weight of 356.35 g/mol, XLogP of 4.73, 7 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(dibutylamino)-5,6,7,8-tetrahydronaphthalen-1-ol;hydrobromide is sourced from PubChem (CID 12581200), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).