3,5,5-trimethyl-1-(5,6,7,8-tetrahydroquinolin-8-yl)hexan-1-ol

C18H29NO — CID 115818295

IUPAC3,5,5-trimethyl-1-(5,6,7,8-tetrahydroquinolin-8-yl)hexan-1-ol
SMILESCC(CC(O)C1CCCc2cccnc21)CC(C)(C)C
InChIInChI=1S/C18H29NO/c1-13(12-18(2,3)4)11-16(20)15-9-5-7-14-8-6-10-19-17(14)15/h6,8,10,13,15-16,20H,5,7,9,11-12H2,1-4H3
InChIKeyGYZXJVJPDNIYPF-UHFFFAOYSA-N
MW275.44 g/mol
LogP4.32
Rot. Bonds4

About 3,5,5-trimethyl-1-(5,6,7,8-tetrahydroquinolin-8-yl)hexan-1-ol

3,5,5-trimethyl-1-(5,6,7,8-tetrahydroquinolin-8-yl)hexan-1-ol (PubChem CID 115818295) has the molecular formula C18H29NO and a molecular weight of 275.44 g/mol. Its IUPAC name is 3,5,5-trimethyl-1-(5,6,7,8-tetrahydroquinolin-8-yl)hexan-1-ol.

Molecular Properties

Compound Name3,5,5-trimethyl-1-(5,6,7,8-tetrahydroquinolin-8-yl)hexan-1-ol
PubChem CID115818295
Molecular FormulaC18H29NO
Molecular Weight275.44 g/mol
Exact Mass275.22
IUPAC Name3,5,5-trimethyl-1-(5,6,7,8-tetrahydroquinolin-8-yl)hexan-1-ol
SMILESCC(CC(O)C1CCCc2cccnc21)CC(C)(C)C
InChIInChI=1S/C18H29NO/c1-13(12-18(2,3)4)11-16(20)15-9-5-7-14-8-6-10-19-17(14)15/h6,8,10,13,15-16,20H,5,7,9,11-12H2,1-4H3
InChIKeyGYZXJVJPDNIYPF-UHFFFAOYSA-N
XLogP4.32
TPSA33.12 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500275.44
LogP ≤ 54.32
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-(5,6,7,8-tetrahydroquinolin-8-yl)ethanol
CID 79739208
3,5,5-trimethyl-1-(5,6,7,8-tetrahydroquinolin-8-yl)hexan-1-one
CID 115782125
(8R)-8-propan-2-yl-5,6,7,8-tetrahydroquinoline
CID 58752937
3-methoxy-1-(5,6,7,8-tetrahydroquinolin-8-yl)propan-1-ol
CID 79746208
2-phenoxy-1-(5,6,7,8-tetrahydroquinolin-8-yl)ethanol
CID 79745977
4-methylsulfanyl-1-(5,6,7,8-tetrahydroquinolin-8-yl)butan-1-ol
CID 103089942
3-(diethylamino)-1-(5,6,7,8-tetrahydroquinolin-8-yl)propan-1-ol
CID 79745841
2-methoxy-3,3-dimethyl-1-(5,6,7,8-tetrahydroquinolin-8-yl)butan-1-ol
CID 116713188
2-(5,6,7,8-tetrahydroquinolin-8-yl)propan-1-amine
CID 81021345
[2,2-dimethyl-1-(5,6,7,8-tetrahydroquinolin-8-yl)propyl]hydrazine
CID 105203138
2-methyl-2-morpholin-4-yl-1-(5,6,7,8-tetrahydroquinolin-8-yl)propan-1-ol
CID 79733286
2-methyl-2-pyrrolidin-1-yl-1-(5,6,7,8-tetrahydroquinolin-8-yl)butan-1-ol
CID 79732570

Frequently Asked Questions

What is the IUPAC name of 3,5,5-trimethyl-1-(5,6,7,8-tetrahydroquinolin-8-yl)hexan-1-ol?
The IUPAC name of 3,5,5-trimethyl-1-(5,6,7,8-tetrahydroquinolin-8-yl)hexan-1-ol (CID 115818295) is 3,5,5-trimethyl-1-(5,6,7,8-tetrahydroquinolin-8-yl)hexan-1-ol.
What is the SMILES notation for 3,5,5-trimethyl-1-(5,6,7,8-tetrahydroquinolin-8-yl)hexan-1-ol?
The canonical SMILES for 3,5,5-trimethyl-1-(5,6,7,8-tetrahydroquinolin-8-yl)hexan-1-ol is CC(CC(O)C1CCCc2cccnc21)CC(C)(C)C.
What is the InChIKey of 3,5,5-trimethyl-1-(5,6,7,8-tetrahydroquinolin-8-yl)hexan-1-ol?
The InChIKey is GYZXJVJPDNIYPF-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H29NO/c1-13(12-18(2,3)4)11-16(20)15-9-5-7-14-8-6-10-19-17(14)15/h6,8,10,13,15-16,20H,5,7,9,11-12H2,1-4H3.
What are the key properties of 3,5,5-trimethyl-1-(5,6,7,8-tetrahydroquinolin-8-yl)hexan-1-ol?
3,5,5-trimethyl-1-(5,6,7,8-tetrahydroquinolin-8-yl)hexan-1-ol has a molecular weight of 275.44 g/mol, XLogP of 4.32, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3,5,5-trimethyl-1-(5,6,7,8-tetrahydroquinolin-8-yl)hexan-1-ol is sourced from PubChem (CID 115818295), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).