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

C24H42BrNO — CID 23635484

IUPAC6-(tetradecylamino)-5,6,7,8-tetrahydronaphthalen-1-ol;hydrobromide
SMILESBr.CCCCCCCCCCCCCCNC1CCc2c(O)cccc2C1
InChIInChI=1S/C24H41NO.BrH/c1-2-3-4-5-6-7-8-9-10-11-12-13-19-25-22-17-18-23-21(20-22)15-14-16-24(23)26;/h14-16,22,25-26H,2-13,17-20H2,1H3;1H
InChIKeyHJDBWHBWTFGXEY-UHFFFAOYSA-N
MW440.51 g/mol
LogP7.12
Rot. Bonds14

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

6-(tetradecylamino)-5,6,7,8-tetrahydronaphthalen-1-ol;hydrobromide (PubChem CID 23635484) has the molecular formula C24H42BrNO and a molecular weight of 440.51 g/mol. Its IUPAC name is 6-(tetradecylamino)-5,6,7,8-tetrahydronaphthalen-1-ol;hydrobromide.

Molecular Properties

Compound Name6-(tetradecylamino)-5,6,7,8-tetrahydronaphthalen-1-ol;hydrobromide
PubChem CID23635484
Molecular FormulaC24H42BrNO
Molecular Weight440.51 g/mol
Exact Mass439.24
IUPAC Name6-(tetradecylamino)-5,6,7,8-tetrahydronaphthalen-1-ol;hydrobromide
SMILESBr.CCCCCCCCCCCCCCNC1CCc2c(O)cccc2C1
InChIInChI=1S/C24H41NO.BrH/c1-2-3-4-5-6-7-8-9-10-11-12-13-19-25-22-17-18-23-21(20-22)15-14-16-24(23)26;/h14-16,22,25-26H,2-13,17-20H2,1H3;1H
InChIKeyHJDBWHBWTFGXEY-UHFFFAOYSA-N
XLogP7.12
TPSA32.26 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds14
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500440.51
LogP ≤ 57.12
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-(tetradecylamino)-5,6,7,8-tetrahydronaphthalen-1-ol;hydrobromide?
The IUPAC name of 6-(tetradecylamino)-5,6,7,8-tetrahydronaphthalen-1-ol;hydrobromide (CID 23635484) is 6-(tetradecylamino)-5,6,7,8-tetrahydronaphthalen-1-ol;hydrobromide.
What is the SMILES notation for 6-(tetradecylamino)-5,6,7,8-tetrahydronaphthalen-1-ol;hydrobromide?
The canonical SMILES for 6-(tetradecylamino)-5,6,7,8-tetrahydronaphthalen-1-ol;hydrobromide is Br.CCCCCCCCCCCCCCNC1CCc2c(O)cccc2C1.
What is the InChIKey of 6-(tetradecylamino)-5,6,7,8-tetrahydronaphthalen-1-ol;hydrobromide?
The InChIKey is HJDBWHBWTFGXEY-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H41NO.BrH/c1-2-3-4-5-6-7-8-9-10-11-12-13-19-25-22-17-18-23-21(20-22)15-14-16-24(23)26;/h14-16,22,25-26H,2-13,17-20H2,1H3;1H.
What are the key properties of 6-(tetradecylamino)-5,6,7,8-tetrahydronaphthalen-1-ol;hydrobromide?
6-(tetradecylamino)-5,6,7,8-tetrahydronaphthalen-1-ol;hydrobromide has a molecular weight of 440.51 g/mol, XLogP of 7.12, 14 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(tetradecylamino)-5,6,7,8-tetrahydronaphthalen-1-ol;hydrobromide is sourced from PubChem (CID 23635484), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).