1-(5,6,7,8-tetrahydroquinolin-8-yl)cyclohexan-1-ol

C15H21NO — CID 79739365

IUPAC1-(5,6,7,8-tetrahydroquinolin-8-yl)cyclohexan-1-ol
SMILESOC1(C2CCCc3cccnc32)CCCCC1
InChIInChI=1S/C15H21NO/c17-15(9-2-1-3-10-15)13-8-4-6-12-7-5-11-16-14(12)13/h5,7,11,13,17H,1-4,6,8-10H2
InChIKeyVIQATDSHNRONML-UHFFFAOYSA-N
MW231.34 g/mol
LogP3.20
Rot. Bonds1

About 1-(5,6,7,8-tetrahydroquinolin-8-yl)cyclohexan-1-ol

1-(5,6,7,8-tetrahydroquinolin-8-yl)cyclohexan-1-ol (PubChem CID 79739365) has the molecular formula C15H21NO and a molecular weight of 231.34 g/mol. Its IUPAC name is 1-(5,6,7,8-tetrahydroquinolin-8-yl)cyclohexan-1-ol.

Molecular Properties

Compound Name1-(5,6,7,8-tetrahydroquinolin-8-yl)cyclohexan-1-ol
PubChem CID79739365
Molecular FormulaC15H21NO
Molecular Weight231.34 g/mol
Exact Mass231.16
IUPAC Name1-(5,6,7,8-tetrahydroquinolin-8-yl)cyclohexan-1-ol
SMILESOC1(C2CCCc3cccnc32)CCCCC1
InChIInChI=1S/C15H21NO/c17-15(9-2-1-3-10-15)13-8-4-6-12-7-5-11-16-14(12)13/h5,7,11,13,17H,1-4,6,8-10H2
InChIKeyVIQATDSHNRONML-UHFFFAOYSA-N
XLogP3.20
TPSA33.12 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms17
Complexity

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500231.34
LogP ≤ 53.20
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1-(5,6,7,8-tetrahydroquinolin-8-yl)cyclohexan-1-ol?
The IUPAC name of 1-(5,6,7,8-tetrahydroquinolin-8-yl)cyclohexan-1-ol (CID 79739365) is 1-(5,6,7,8-tetrahydroquinolin-8-yl)cyclohexan-1-ol.
What is the SMILES notation for 1-(5,6,7,8-tetrahydroquinolin-8-yl)cyclohexan-1-ol?
The canonical SMILES for 1-(5,6,7,8-tetrahydroquinolin-8-yl)cyclohexan-1-ol is OC1(C2CCCc3cccnc32)CCCCC1.
What is the InChIKey of 1-(5,6,7,8-tetrahydroquinolin-8-yl)cyclohexan-1-ol?
The InChIKey is VIQATDSHNRONML-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21NO/c17-15(9-2-1-3-10-15)13-8-4-6-12-7-5-11-16-14(12)13/h5,7,11,13,17H,1-4,6,8-10H2.
What are the key properties of 1-(5,6,7,8-tetrahydroquinolin-8-yl)cyclohexan-1-ol?
1-(5,6,7,8-tetrahydroquinolin-8-yl)cyclohexan-1-ol has a molecular weight of 231.34 g/mol, XLogP of 3.20, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(5,6,7,8-tetrahydroquinolin-8-yl)cyclohexan-1-ol is sourced from PubChem (CID 79739365), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).