6-(nonylamino)-5,6,7,8-tetrahydronaphthalen-2-ol;hydrobromide

C19H32BrNO — CID 23636110

IUPAC6-(nonylamino)-5,6,7,8-tetrahydronaphthalen-2-ol;hydrobromide
SMILESBr.CCCCCCCCCNC1CCc2cc(O)ccc2C1
InChIInChI=1S/C19H31NO.BrH/c1-2-3-4-5-6-7-8-13-20-18-11-9-17-15-19(21)12-10-16(17)14-18;/h10,12,15,18,20-21H,2-9,11,13-14H2,1H3;1H
InChIKeyYMZKLWAWXRVSTQ-UHFFFAOYSA-N
MW370.38 g/mol
LogP5.17
Rot. Bonds9

About 6-(nonylamino)-5,6,7,8-tetrahydronaphthalen-2-ol;hydrobromide

6-(nonylamino)-5,6,7,8-tetrahydronaphthalen-2-ol;hydrobromide (PubChem CID 23636110) has the molecular formula C19H32BrNO and a molecular weight of 370.38 g/mol. Its IUPAC name is 6-(nonylamino)-5,6,7,8-tetrahydronaphthalen-2-ol;hydrobromide.

Molecular Properties

Compound Name6-(nonylamino)-5,6,7,8-tetrahydronaphthalen-2-ol;hydrobromide
PubChem CID23636110
Molecular FormulaC19H32BrNO
Molecular Weight370.38 g/mol
Exact Mass369.17
IUPAC Name6-(nonylamino)-5,6,7,8-tetrahydronaphthalen-2-ol;hydrobromide
SMILESBr.CCCCCCCCCNC1CCc2cc(O)ccc2C1
InChIInChI=1S/C19H31NO.BrH/c1-2-3-4-5-6-7-8-13-20-18-11-9-17-15-19(21)12-10-16(17)14-18;/h10,12,15,18,20-21H,2-9,11,13-14H2,1H3;1H
InChIKeyYMZKLWAWXRVSTQ-UHFFFAOYSA-N
XLogP5.17
TPSA32.26 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds9
Heavy Atoms22
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500370.38
LogP ≤ 55.17
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-(nonylamino)-5,6,7,8-tetrahydronaphthalen-2-ol;hydrobromide?
The IUPAC name of 6-(nonylamino)-5,6,7,8-tetrahydronaphthalen-2-ol;hydrobromide (CID 23636110) is 6-(nonylamino)-5,6,7,8-tetrahydronaphthalen-2-ol;hydrobromide.
What is the SMILES notation for 6-(nonylamino)-5,6,7,8-tetrahydronaphthalen-2-ol;hydrobromide?
The canonical SMILES for 6-(nonylamino)-5,6,7,8-tetrahydronaphthalen-2-ol;hydrobromide is Br.CCCCCCCCCNC1CCc2cc(O)ccc2C1.
What is the InChIKey of 6-(nonylamino)-5,6,7,8-tetrahydronaphthalen-2-ol;hydrobromide?
The InChIKey is YMZKLWAWXRVSTQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H31NO.BrH/c1-2-3-4-5-6-7-8-13-20-18-11-9-17-15-19(21)12-10-16(17)14-18;/h10,12,15,18,20-21H,2-9,11,13-14H2,1H3;1H.
What are the key properties of 6-(nonylamino)-5,6,7,8-tetrahydronaphthalen-2-ol;hydrobromide?
6-(nonylamino)-5,6,7,8-tetrahydronaphthalen-2-ol;hydrobromide has a molecular weight of 370.38 g/mol, XLogP of 5.17, 9 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(nonylamino)-5,6,7,8-tetrahydronaphthalen-2-ol;hydrobromide is sourced from PubChem (CID 23636110), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).