2-(3,4,5,6,7,8-hexahydro-2H-azonin-9-yl)cyclooctan-1-ol

C16H29NO — CID 174196131

IUPAC2-(3,4,5,6,7,8-hexahydro-2H-azonin-9-yl)cyclooctan-1-ol
SMILESOC1CCCCCCC1/C1=N/CCCCCCC1
InChIInChI=1S/C16H29NO/c18-16-12-8-4-3-6-10-14(16)15-11-7-2-1-5-9-13-17-15/h14,16,18H,1-13H2/b17-15+
InChIKeyRTQASIUTBIZGHC-BMRADRMJSA-N
MW251.41 g/mol
LogP4.11
Rot. Bonds1

About 2-(3,4,5,6,7,8-hexahydro-2H-azonin-9-yl)cyclooctan-1-ol

2-(3,4,5,6,7,8-hexahydro-2H-azonin-9-yl)cyclooctan-1-ol (PubChem CID 174196131) has the molecular formula C16H29NO and a molecular weight of 251.41 g/mol. Its IUPAC name is 2-(3,4,5,6,7,8-hexahydro-2H-azonin-9-yl)cyclooctan-1-ol.

Molecular Properties

Compound Name2-(3,4,5,6,7,8-hexahydro-2H-azonin-9-yl)cyclooctan-1-ol
PubChem CID174196131
Molecular FormulaC16H29NO
Molecular Weight251.41 g/mol
Exact Mass251.22
IUPAC Name2-(3,4,5,6,7,8-hexahydro-2H-azonin-9-yl)cyclooctan-1-ol
SMILESOC1CCCCCCC1/C1=N/CCCCCCC1
InChIInChI=1S/C16H29NO/c18-16-12-8-4-3-6-10-14(16)15-11-7-2-1-5-9-13-17-15/h14,16,18H,1-13H2/b17-15+
InChIKeyRTQASIUTBIZGHC-BMRADRMJSA-N
XLogP4.11
TPSA32.59 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500251.41
LogP ≤ 54.11
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-(3,4,5,6,7,8-hexahydro-2H-azonin-9-yl)cyclooctan-1-ol?
The IUPAC name of 2-(3,4,5,6,7,8-hexahydro-2H-azonin-9-yl)cyclooctan-1-ol (CID 174196131) is 2-(3,4,5,6,7,8-hexahydro-2H-azonin-9-yl)cyclooctan-1-ol.
What is the SMILES notation for 2-(3,4,5,6,7,8-hexahydro-2H-azonin-9-yl)cyclooctan-1-ol?
The canonical SMILES for 2-(3,4,5,6,7,8-hexahydro-2H-azonin-9-yl)cyclooctan-1-ol is OC1CCCCCCC1/C1=N/CCCCCCC1.
What is the InChIKey of 2-(3,4,5,6,7,8-hexahydro-2H-azonin-9-yl)cyclooctan-1-ol?
The InChIKey is RTQASIUTBIZGHC-BMRADRMJSA-N. The full InChI is InChI=1S/C16H29NO/c18-16-12-8-4-3-6-10-14(16)15-11-7-2-1-5-9-13-17-15/h14,16,18H,1-13H2/b17-15+.
What are the key properties of 2-(3,4,5,6,7,8-hexahydro-2H-azonin-9-yl)cyclooctan-1-ol?
2-(3,4,5,6,7,8-hexahydro-2H-azonin-9-yl)cyclooctan-1-ol has a molecular weight of 251.41 g/mol, XLogP of 4.11, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3,4,5,6,7,8-hexahydro-2H-azonin-9-yl)cyclooctan-1-ol is sourced from PubChem (CID 174196131), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).