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

C18H33NO — CID 174196146

IUPAC2-(3,4,5,6,7,8-hexahydro-2H-azonin-9-yl)cyclodecan-1-ol
SMILESOC1CCCCCCCCC1/C1=N/CCCCCCC1
InChIInChI=1S/C18H33NO/c20-18-14-10-6-2-1-4-8-12-16(18)17-13-9-5-3-7-11-15-19-17/h16,18,20H,1-15H2/b19-17+
InChIKeyOMNNZDJVRIQGSO-HTXNQAPBSA-N
MW279.47 g/mol
LogP4.89
Rot. Bonds1

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

2-(3,4,5,6,7,8-hexahydro-2H-azonin-9-yl)cyclodecan-1-ol (PubChem CID 174196146) has the molecular formula C18H33NO and a molecular weight of 279.47 g/mol. Its IUPAC name is 2-(3,4,5,6,7,8-hexahydro-2H-azonin-9-yl)cyclodecan-1-ol.

Molecular Properties

Compound Name2-(3,4,5,6,7,8-hexahydro-2H-azonin-9-yl)cyclodecan-1-ol
PubChem CID174196146
Molecular FormulaC18H33NO
Molecular Weight279.47 g/mol
Exact Mass279.26
IUPAC Name2-(3,4,5,6,7,8-hexahydro-2H-azonin-9-yl)cyclodecan-1-ol
SMILESOC1CCCCCCCCC1/C1=N/CCCCCCC1
InChIInChI=1S/C18H33NO/c20-18-14-10-6-2-1-4-8-12-16(18)17-13-9-5-3-7-11-15-19-17/h16,18,20H,1-15H2/b19-17+
InChIKeyOMNNZDJVRIQGSO-HTXNQAPBSA-N
XLogP4.89
TPSA32.59 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500279.47
LogP ≤ 54.89
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)cyclodecan-1-ol?
The IUPAC name of 2-(3,4,5,6,7,8-hexahydro-2H-azonin-9-yl)cyclodecan-1-ol (CID 174196146) is 2-(3,4,5,6,7,8-hexahydro-2H-azonin-9-yl)cyclodecan-1-ol.
What is the SMILES notation for 2-(3,4,5,6,7,8-hexahydro-2H-azonin-9-yl)cyclodecan-1-ol?
The canonical SMILES for 2-(3,4,5,6,7,8-hexahydro-2H-azonin-9-yl)cyclodecan-1-ol is OC1CCCCCCCCC1/C1=N/CCCCCCC1.
What is the InChIKey of 2-(3,4,5,6,7,8-hexahydro-2H-azonin-9-yl)cyclodecan-1-ol?
The InChIKey is OMNNZDJVRIQGSO-HTXNQAPBSA-N. The full InChI is InChI=1S/C18H33NO/c20-18-14-10-6-2-1-4-8-12-16(18)17-13-9-5-3-7-11-15-19-17/h16,18,20H,1-15H2/b19-17+.
What are the key properties of 2-(3,4,5,6,7,8-hexahydro-2H-azonin-9-yl)cyclodecan-1-ol?
2-(3,4,5,6,7,8-hexahydro-2H-azonin-9-yl)cyclodecan-1-ol has a molecular weight of 279.47 g/mol, XLogP of 4.89, 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)cyclodecan-1-ol is sourced from PubChem (CID 174196146), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).