(3-methylcyclohexyl)-(5,6,7,8-tetrahydroquinolin-8-yl)methanol

C17H25NO — CID 79745215

IUPAC(3-methylcyclohexyl)-(5,6,7,8-tetrahydroquinolin-8-yl)methanol
SMILESCC1CCCC(C(O)C2CCCc3cccnc32)C1
InChIInChI=1S/C17H25NO/c1-12-5-2-7-14(11-12)17(19)15-9-3-6-13-8-4-10-18-16(13)15/h4,8,10,12,14-15,17,19H,2-3,5-7,9,11H2,1H3
InChIKeyVBXHKUBUSKXPBP-UHFFFAOYSA-N
MW259.39 g/mol
LogP3.69
Rot. Bonds2

About (3-methylcyclohexyl)-(5,6,7,8-tetrahydroquinolin-8-yl)methanol

(3-methylcyclohexyl)-(5,6,7,8-tetrahydroquinolin-8-yl)methanol (PubChem CID 79745215) has the molecular formula C17H25NO and a molecular weight of 259.39 g/mol. Its IUPAC name is (3-methylcyclohexyl)-(5,6,7,8-tetrahydroquinolin-8-yl)methanol.

Molecular Properties

Compound Name(3-methylcyclohexyl)-(5,6,7,8-tetrahydroquinolin-8-yl)methanol
PubChem CID79745215
Molecular FormulaC17H25NO
Molecular Weight259.39 g/mol
Exact Mass259.19
IUPAC Name(3-methylcyclohexyl)-(5,6,7,8-tetrahydroquinolin-8-yl)methanol
SMILESCC1CCCC(C(O)C2CCCc3cccnc32)C1
InChIInChI=1S/C17H25NO/c1-12-5-2-7-14(11-12)17(19)15-9-3-6-13-8-4-10-18-16(13)15/h4,8,10,12,14-15,17,19H,2-3,5-7,9,11H2,1H3
InChIKeyVBXHKUBUSKXPBP-UHFFFAOYSA-N
XLogP3.69
TPSA33.12 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500259.39
LogP ≤ 53.69
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze (3-methylcyclohexyl)-(5,6,7,8-tetrahydroquinolin-8-yl)methanol with MolForge

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Related Compounds

(3-ethylcyclopentyl)-(5,6,7,8-tetrahydroquinolin-8-yl)methanol
CID 79746219
1-(5,6,7,8-tetrahydroquinolin-8-yl)ethanol
CID 79739208
(4,4-difluorocyclohexyl)-(5,6,7,8-tetrahydroquinolin-8-yl)methanol
CID 105111320
(3-methyl-1,4-dithian-2-yl)-(5,6,7,8-tetrahydroquinolin-8-yl)methanol
CID 115386297
(8R)-8-propan-2-yl-5,6,7,8-tetrahydroquinoline
CID 58752937
phenyl(5,6,7,8-tetrahydroquinolin-8-yl)methanol
CID 79739489
oxolan-2-yl(5,6,7,8-tetrahydroquinolin-8-yl)methanol
CID 79745835
6,7-dihydro-5H-cyclopenta[b]pyridin-7-yl-(5-methyloxolan-3-yl)methanol
CID 115819461
2-phenoxy-1-(5,6,7,8-tetrahydroquinolin-8-yl)ethanol
CID 79745977
6-bicyclo[3.1.0]hexanyl(6,7-dihydro-5H-cyclopenta[b]pyridin-7-yl)methanol
CID 115819421
[cyclobutyl(5,6,7,8-tetrahydroquinolin-8-yl)methyl]hydrazine
CID 105224521
2-methoxy-3,3-dimethyl-1-(5,6,7,8-tetrahydroquinolin-8-yl)butan-1-ol
CID 116713188

Frequently Asked Questions

What is the IUPAC name of (3-methylcyclohexyl)-(5,6,7,8-tetrahydroquinolin-8-yl)methanol?
The IUPAC name of (3-methylcyclohexyl)-(5,6,7,8-tetrahydroquinolin-8-yl)methanol (CID 79745215) is (3-methylcyclohexyl)-(5,6,7,8-tetrahydroquinolin-8-yl)methanol.
What is the SMILES notation for (3-methylcyclohexyl)-(5,6,7,8-tetrahydroquinolin-8-yl)methanol?
The canonical SMILES for (3-methylcyclohexyl)-(5,6,7,8-tetrahydroquinolin-8-yl)methanol is CC1CCCC(C(O)C2CCCc3cccnc32)C1.
What is the InChIKey of (3-methylcyclohexyl)-(5,6,7,8-tetrahydroquinolin-8-yl)methanol?
The InChIKey is VBXHKUBUSKXPBP-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H25NO/c1-12-5-2-7-14(11-12)17(19)15-9-3-6-13-8-4-10-18-16(13)15/h4,8,10,12,14-15,17,19H,2-3,5-7,9,11H2,1H3.
What are the key properties of (3-methylcyclohexyl)-(5,6,7,8-tetrahydroquinolin-8-yl)methanol?
(3-methylcyclohexyl)-(5,6,7,8-tetrahydroquinolin-8-yl)methanol has a molecular weight of 259.39 g/mol, XLogP of 3.69, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (3-methylcyclohexyl)-(5,6,7,8-tetrahydroquinolin-8-yl)methanol is sourced from PubChem (CID 79745215), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).