2-[2-(3,4,4a,5,6,7,8,8a-octahydro-2H-quinolin-1-yl)ethyl]cyclopentan-1-ol

C16H29NO — CID 79564172

IUPAC2-[2-(3,4,4a,5,6,7,8,8a-octahydro-2H-quinolin-1-yl)ethyl]cyclopentan-1-ol
SMILESOC1CCCC1CCN1CCCC2CCCCC21
InChIInChI=1S/C16H29NO/c18-16-9-3-6-14(16)10-12-17-11-4-7-13-5-1-2-8-15(13)17/h13-16,18H,1-12H2
InChIKeyYMPXLQFQGBEABH-UHFFFAOYSA-N
MW251.41 g/mol
LogP3.19
Rot. Bonds3

About 2-[2-(3,4,4a,5,6,7,8,8a-octahydro-2H-quinolin-1-yl)ethyl]cyclopentan-1-ol

2-[2-(3,4,4a,5,6,7,8,8a-octahydro-2H-quinolin-1-yl)ethyl]cyclopentan-1-ol (PubChem CID 79564172) has the molecular formula C16H29NO and a molecular weight of 251.41 g/mol. Its IUPAC name is 2-[2-(3,4,4a,5,6,7,8,8a-octahydro-2H-quinolin-1-yl)ethyl]cyclopentan-1-ol.

Molecular Properties

Compound Name2-[2-(3,4,4a,5,6,7,8,8a-octahydro-2H-quinolin-1-yl)ethyl]cyclopentan-1-ol
PubChem CID79564172
Molecular FormulaC16H29NO
Molecular Weight251.41 g/mol
Exact Mass251.22
IUPAC Name2-[2-(3,4,4a,5,6,7,8,8a-octahydro-2H-quinolin-1-yl)ethyl]cyclopentan-1-ol
SMILESOC1CCCC1CCN1CCCC2CCCCC21
InChIInChI=1S/C16H29NO/c18-16-9-3-6-14(16)10-12-17-11-4-7-13-5-1-2-8-15(13)17/h13-16,18H,1-12H2
InChIKeyYMPXLQFQGBEABH-UHFFFAOYSA-N
XLogP3.19
TPSA23.47 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500251.41
LogP ≤ 53.19
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-[2-(3,4,4a,5,6,7,8,8a-octahydro-2H-quinolin-1-yl)ethyl]cyclopentan-1-ol?
The IUPAC name of 2-[2-(3,4,4a,5,6,7,8,8a-octahydro-2H-quinolin-1-yl)ethyl]cyclopentan-1-ol (CID 79564172) is 2-[2-(3,4,4a,5,6,7,8,8a-octahydro-2H-quinolin-1-yl)ethyl]cyclopentan-1-ol.
What is the SMILES notation for 2-[2-(3,4,4a,5,6,7,8,8a-octahydro-2H-quinolin-1-yl)ethyl]cyclopentan-1-ol?
The canonical SMILES for 2-[2-(3,4,4a,5,6,7,8,8a-octahydro-2H-quinolin-1-yl)ethyl]cyclopentan-1-ol is OC1CCCC1CCN1CCCC2CCCCC21.
What is the InChIKey of 2-[2-(3,4,4a,5,6,7,8,8a-octahydro-2H-quinolin-1-yl)ethyl]cyclopentan-1-ol?
The InChIKey is YMPXLQFQGBEABH-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H29NO/c18-16-9-3-6-14(16)10-12-17-11-4-7-13-5-1-2-8-15(13)17/h13-16,18H,1-12H2.
What are the key properties of 2-[2-(3,4,4a,5,6,7,8,8a-octahydro-2H-quinolin-1-yl)ethyl]cyclopentan-1-ol?
2-[2-(3,4,4a,5,6,7,8,8a-octahydro-2H-quinolin-1-yl)ethyl]cyclopentan-1-ol has a molecular weight of 251.41 g/mol, XLogP of 3.19, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-(3,4,4a,5,6,7,8,8a-octahydro-2H-quinolin-1-yl)ethyl]cyclopentan-1-ol is sourced from PubChem (CID 79564172), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).