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

C20H34BrNO — CID 23636116

IUPAC6-(decylamino)-5,6,7,8-tetrahydronaphthalen-1-ol;hydrobromide
SMILESBr.CCCCCCCCCCNC1CCc2c(O)cccc2C1
InChIInChI=1S/C20H33NO.BrH/c1-2-3-4-5-6-7-8-9-15-21-18-13-14-19-17(16-18)11-10-12-20(19)22;/h10-12,18,21-22H,2-9,13-16H2,1H3;1H
InChIKeyZSILQPJRXGJMHZ-UHFFFAOYSA-N
MW384.40 g/mol
LogP5.56
Rot. Bonds10

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

6-(decylamino)-5,6,7,8-tetrahydronaphthalen-1-ol;hydrobromide (PubChem CID 23636116) has the molecular formula C20H34BrNO and a molecular weight of 384.40 g/mol. Its IUPAC name is 6-(decylamino)-5,6,7,8-tetrahydronaphthalen-1-ol;hydrobromide.

Molecular Properties

Compound Name6-(decylamino)-5,6,7,8-tetrahydronaphthalen-1-ol;hydrobromide
PubChem CID23636116
Molecular FormulaC20H34BrNO
Molecular Weight384.40 g/mol
Exact Mass383.18
IUPAC Name6-(decylamino)-5,6,7,8-tetrahydronaphthalen-1-ol;hydrobromide
SMILESBr.CCCCCCCCCCNC1CCc2c(O)cccc2C1
InChIInChI=1S/C20H33NO.BrH/c1-2-3-4-5-6-7-8-9-15-21-18-13-14-19-17(16-18)11-10-12-20(19)22;/h10-12,18,21-22H,2-9,13-16H2,1H3;1H
InChIKeyZSILQPJRXGJMHZ-UHFFFAOYSA-N
XLogP5.56
TPSA32.26 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds10
Heavy Atoms23
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500384.40
LogP ≤ 55.56
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 6-(decylamino)-5,6,7,8-tetrahydronaphthalen-1-ol;hydrobromide?
The IUPAC name of 6-(decylamino)-5,6,7,8-tetrahydronaphthalen-1-ol;hydrobromide (CID 23636116) is 6-(decylamino)-5,6,7,8-tetrahydronaphthalen-1-ol;hydrobromide.
What is the SMILES notation for 6-(decylamino)-5,6,7,8-tetrahydronaphthalen-1-ol;hydrobromide?
The canonical SMILES for 6-(decylamino)-5,6,7,8-tetrahydronaphthalen-1-ol;hydrobromide is Br.CCCCCCCCCCNC1CCc2c(O)cccc2C1.
What is the InChIKey of 6-(decylamino)-5,6,7,8-tetrahydronaphthalen-1-ol;hydrobromide?
The InChIKey is ZSILQPJRXGJMHZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H33NO.BrH/c1-2-3-4-5-6-7-8-9-15-21-18-13-14-19-17(16-18)11-10-12-20(19)22;/h10-12,18,21-22H,2-9,13-16H2,1H3;1H.
What are the key properties of 6-(decylamino)-5,6,7,8-tetrahydronaphthalen-1-ol;hydrobromide?
6-(decylamino)-5,6,7,8-tetrahydronaphthalen-1-ol;hydrobromide has a molecular weight of 384.40 g/mol, XLogP of 5.56, 10 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(decylamino)-5,6,7,8-tetrahydronaphthalen-1-ol;hydrobromide is sourced from PubChem (CID 23636116), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).