6-(3,4,4a,5-tetrahydro-2H-quinolin-1-yl)hexan-1-ol

C15H25NO — CID 67859558

IUPAC6-(3,4,4a,5-tetrahydro-2H-quinolin-1-yl)hexan-1-ol
SMILESOCCCCCCN1CCCC2CC=CC=C21
InChIInChI=1S/C15H25NO/c17-13-6-2-1-5-11-16-12-7-9-14-8-3-4-10-15(14)16/h3-4,10,14,17H,1-2,5-9,11-13H2
InChIKeyMQPGUNSHIWMJSC-UHFFFAOYSA-N
MW235.37 g/mol
LogP3.09
Rot. Bonds6

About 6-(3,4,4a,5-tetrahydro-2H-quinolin-1-yl)hexan-1-ol

6-(3,4,4a,5-tetrahydro-2H-quinolin-1-yl)hexan-1-ol (PubChem CID 67859558) has the molecular formula C15H25NO and a molecular weight of 235.37 g/mol. Its IUPAC name is 6-(3,4,4a,5-tetrahydro-2H-quinolin-1-yl)hexan-1-ol.

Molecular Properties

Compound Name6-(3,4,4a,5-tetrahydro-2H-quinolin-1-yl)hexan-1-ol
PubChem CID67859558
Molecular FormulaC15H25NO
Molecular Weight235.37 g/mol
Exact Mass235.19
IUPAC Name6-(3,4,4a,5-tetrahydro-2H-quinolin-1-yl)hexan-1-ol
SMILESOCCCCCCN1CCCC2CC=CC=C21
InChIInChI=1S/C15H25NO/c17-13-6-2-1-5-11-16-12-7-9-14-8-3-4-10-15(14)16/h3-4,10,14,17H,1-2,5-9,11-13H2
InChIKeyMQPGUNSHIWMJSC-UHFFFAOYSA-N
XLogP3.09
TPSA23.47 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500235.37
LogP ≤ 53.09
H-Bond Donors ≤ 51
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-(3,4,4a,5-tetrahydro-2H-quinolin-1-yl)hexan-1-ol?
The IUPAC name of 6-(3,4,4a,5-tetrahydro-2H-quinolin-1-yl)hexan-1-ol (CID 67859558) is 6-(3,4,4a,5-tetrahydro-2H-quinolin-1-yl)hexan-1-ol.
What is the SMILES notation for 6-(3,4,4a,5-tetrahydro-2H-quinolin-1-yl)hexan-1-ol?
The canonical SMILES for 6-(3,4,4a,5-tetrahydro-2H-quinolin-1-yl)hexan-1-ol is OCCCCCCN1CCCC2CC=CC=C21.
What is the InChIKey of 6-(3,4,4a,5-tetrahydro-2H-quinolin-1-yl)hexan-1-ol?
The InChIKey is MQPGUNSHIWMJSC-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H25NO/c17-13-6-2-1-5-11-16-12-7-9-14-8-3-4-10-15(14)16/h3-4,10,14,17H,1-2,5-9,11-13H2.
What are the key properties of 6-(3,4,4a,5-tetrahydro-2H-quinolin-1-yl)hexan-1-ol?
6-(3,4,4a,5-tetrahydro-2H-quinolin-1-yl)hexan-1-ol has a molecular weight of 235.37 g/mol, XLogP of 3.09, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(3,4,4a,5-tetrahydro-2H-quinolin-1-yl)hexan-1-ol is sourced from PubChem (CID 67859558), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).