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

C17H25NO — CID 79746219

IUPAC(3-ethylcyclopentyl)-(5,6,7,8-tetrahydroquinolin-8-yl)methanol
SMILESCCC1CCC(C(O)C2CCCc3cccnc32)C1
InChIInChI=1S/C17H25NO/c1-2-12-8-9-14(11-12)17(19)15-7-3-5-13-6-4-10-18-16(13)15/h4,6,10,12,14-15,17,19H,2-3,5,7-9,11H2,1H3
InChIKeyMIHWSRZHPVCNSN-UHFFFAOYSA-N
MW259.39 g/mol
LogP3.69
Rot. Bonds3

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

(3-ethylcyclopentyl)-(5,6,7,8-tetrahydroquinolin-8-yl)methanol (PubChem CID 79746219) has the molecular formula C17H25NO and a molecular weight of 259.39 g/mol. Its IUPAC name is (3-ethylcyclopentyl)-(5,6,7,8-tetrahydroquinolin-8-yl)methanol.

Molecular Properties

Compound Name(3-ethylcyclopentyl)-(5,6,7,8-tetrahydroquinolin-8-yl)methanol
PubChem CID79746219
Molecular FormulaC17H25NO
Molecular Weight259.39 g/mol
Exact Mass259.19
IUPAC Name(3-ethylcyclopentyl)-(5,6,7,8-tetrahydroquinolin-8-yl)methanol
SMILESCCC1CCC(C(O)C2CCCc3cccnc32)C1
InChIInChI=1S/C17H25NO/c1-2-12-8-9-14(11-12)17(19)15-7-3-5-13-6-4-10-18-16(13)15/h4,6,10,12,14-15,17,19H,2-3,5,7-9,11H2,1H3
InChIKeyMIHWSRZHPVCNSN-UHFFFAOYSA-N
XLogP3.69
TPSA33.12 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
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

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Related Compounds

(3-methylcyclohexyl)-(5,6,7,8-tetrahydroquinolin-8-yl)methanol
CID 79745215
1-(5,6,7,8-tetrahydroquinolin-8-yl)ethanol
CID 79739208
(4,4-difluorocyclohexyl)-(5,6,7,8-tetrahydroquinolin-8-yl)methanol
CID 105111320
2-phenoxy-1-(5,6,7,8-tetrahydroquinolin-8-yl)ethanol
CID 79745977
3-(diethylamino)-1-(5,6,7,8-tetrahydroquinolin-8-yl)propan-1-ol
CID 79745841
(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
phenyl(5,6,7,8-tetrahydroquinolin-8-yl)methanol
CID 79739489
oxolan-2-yl(5,6,7,8-tetrahydroquinolin-8-yl)methanol
CID 79745835
(3-methyl-1,4-dithian-2-yl)-(5,6,7,8-tetrahydroquinolin-8-yl)methanol
CID 115386297
8-pentan-2-yl-5,6,7,8-tetrahydroquinoline
CID 67125718
N-[6,7-dihydro-5H-cyclopenta[b]pyridin-7-yl-(4-ethylcyclohexyl)methyl]ethanamine
CID 79740041

Frequently Asked Questions

What is the IUPAC name of (3-ethylcyclopentyl)-(5,6,7,8-tetrahydroquinolin-8-yl)methanol?
The IUPAC name of (3-ethylcyclopentyl)-(5,6,7,8-tetrahydroquinolin-8-yl)methanol (CID 79746219) is (3-ethylcyclopentyl)-(5,6,7,8-tetrahydroquinolin-8-yl)methanol.
What is the SMILES notation for (3-ethylcyclopentyl)-(5,6,7,8-tetrahydroquinolin-8-yl)methanol?
The canonical SMILES for (3-ethylcyclopentyl)-(5,6,7,8-tetrahydroquinolin-8-yl)methanol is CCC1CCC(C(O)C2CCCc3cccnc32)C1.
What is the InChIKey of (3-ethylcyclopentyl)-(5,6,7,8-tetrahydroquinolin-8-yl)methanol?
The InChIKey is MIHWSRZHPVCNSN-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H25NO/c1-2-12-8-9-14(11-12)17(19)15-7-3-5-13-6-4-10-18-16(13)15/h4,6,10,12,14-15,17,19H,2-3,5,7-9,11H2,1H3.
What are the key properties of (3-ethylcyclopentyl)-(5,6,7,8-tetrahydroquinolin-8-yl)methanol?
(3-ethylcyclopentyl)-(5,6,7,8-tetrahydroquinolin-8-yl)methanol has a molecular weight of 259.39 g/mol, XLogP of 3.69, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (3-ethylcyclopentyl)-(5,6,7,8-tetrahydroquinolin-8-yl)methanol is sourced from PubChem (CID 79746219), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).