2,3-dimethyl-1-(1,2,3,4-tetrahydroquinolin-2-yl)cyclohexan-1-ol

C17H25NO — CID 65041592

IUPAC2,3-dimethyl-1-(1,2,3,4-tetrahydroquinolin-2-yl)cyclohexan-1-ol
SMILESCC1CCCC(O)(C2CCc3ccccc3N2)C1C
InChIInChI=1S/C17H25NO/c1-12-6-5-11-17(19,13(12)2)16-10-9-14-7-3-4-8-15(14)18-16/h3-4,7-8,12-13,16,18-19H,5-6,9-11H2,1-2H3
InChIKeyQSVQLEYHTNTCBX-UHFFFAOYSA-N
MW259.39 g/mol
LogP3.60
Rot. Bonds1

About 2,3-dimethyl-1-(1,2,3,4-tetrahydroquinolin-2-yl)cyclohexan-1-ol

2,3-dimethyl-1-(1,2,3,4-tetrahydroquinolin-2-yl)cyclohexan-1-ol (PubChem CID 65041592) has the molecular formula C17H25NO and a molecular weight of 259.39 g/mol. Its IUPAC name is 2,3-dimethyl-1-(1,2,3,4-tetrahydroquinolin-2-yl)cyclohexan-1-ol.

Molecular Properties

Compound Name2,3-dimethyl-1-(1,2,3,4-tetrahydroquinolin-2-yl)cyclohexan-1-ol
PubChem CID65041592
Molecular FormulaC17H25NO
Molecular Weight259.39 g/mol
Exact Mass259.19
IUPAC Name2,3-dimethyl-1-(1,2,3,4-tetrahydroquinolin-2-yl)cyclohexan-1-ol
SMILESCC1CCCC(O)(C2CCc3ccccc3N2)C1C
InChIInChI=1S/C17H25NO/c1-12-6-5-11-17(19,13(12)2)16-10-9-14-7-3-4-8-15(14)18-16/h3-4,7-8,12-13,16,18-19H,5-6,9-11H2,1-2H3
InChIKeyQSVQLEYHTNTCBX-UHFFFAOYSA-N
XLogP3.60
TPSA32.26 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500259.39
LogP ≤ 53.60
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2,3-dimethyl-1-(1,2,3,4-tetrahydroquinolin-2-yl)cyclohexan-1-ol?
The IUPAC name of 2,3-dimethyl-1-(1,2,3,4-tetrahydroquinolin-2-yl)cyclohexan-1-ol (CID 65041592) is 2,3-dimethyl-1-(1,2,3,4-tetrahydroquinolin-2-yl)cyclohexan-1-ol.
What is the SMILES notation for 2,3-dimethyl-1-(1,2,3,4-tetrahydroquinolin-2-yl)cyclohexan-1-ol?
The canonical SMILES for 2,3-dimethyl-1-(1,2,3,4-tetrahydroquinolin-2-yl)cyclohexan-1-ol is CC1CCCC(O)(C2CCc3ccccc3N2)C1C.
What is the InChIKey of 2,3-dimethyl-1-(1,2,3,4-tetrahydroquinolin-2-yl)cyclohexan-1-ol?
The InChIKey is QSVQLEYHTNTCBX-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H25NO/c1-12-6-5-11-17(19,13(12)2)16-10-9-14-7-3-4-8-15(14)18-16/h3-4,7-8,12-13,16,18-19H,5-6,9-11H2,1-2H3.
What are the key properties of 2,3-dimethyl-1-(1,2,3,4-tetrahydroquinolin-2-yl)cyclohexan-1-ol?
2,3-dimethyl-1-(1,2,3,4-tetrahydroquinolin-2-yl)cyclohexan-1-ol has a molecular weight of 259.39 g/mol, XLogP of 3.60, 1 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2,3-dimethyl-1-(1,2,3,4-tetrahydroquinolin-2-yl)cyclohexan-1-ol is sourced from PubChem (CID 65041592), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).