3,4,5,6,7,8,9,10-octahydrocycloocta[c]pyridine

C11H17N — CID 123481966

IUPAC3,4,5,6,7,8,9,10-octahydrocycloocta[c]pyridine
SMILESC1=NCCC2=C1CCCCCC2
InChIInChI=1S/C11H17N/c1-2-4-6-11-9-12-8-7-10(11)5-3-1/h9H,1-8H2
InChIKeyIQDUCACUVLSPEG-UHFFFAOYSA-N
MW163.26 g/mol
LogP3.11
Rot. Bonds

About 3,4,5,6,7,8,9,10-octahydrocycloocta[c]pyridine

3,4,5,6,7,8,9,10-octahydrocycloocta[c]pyridine (PubChem CID 123481966) has the molecular formula C11H17N and a molecular weight of 163.26 g/mol. Its IUPAC name is 3,4,5,6,7,8,9,10-octahydrocycloocta[c]pyridine.

Molecular Properties

Compound Name3,4,5,6,7,8,9,10-octahydrocycloocta[c]pyridine
PubChem CID123481966
Molecular FormulaC11H17N
Molecular Weight163.26 g/mol
Exact Mass163.14
IUPAC Name3,4,5,6,7,8,9,10-octahydrocycloocta[c]pyridine
SMILESC1=NCCC2=C1CCCCCC2
InChIInChI=1S/C11H17N/c1-2-4-6-11-9-12-8-7-10(11)5-3-1/h9H,1-8H2
InChIKeyIQDUCACUVLSPEG-UHFFFAOYSA-N
XLogP3.11
TPSA12.36 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500163.26
LogP ≤ 53.11
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 3,4,5,6,7,8,9,10-octahydrocycloocta[c]pyridine?
The IUPAC name of 3,4,5,6,7,8,9,10-octahydrocycloocta[c]pyridine (CID 123481966) is 3,4,5,6,7,8,9,10-octahydrocycloocta[c]pyridine.
What is the SMILES notation for 3,4,5,6,7,8,9,10-octahydrocycloocta[c]pyridine?
The canonical SMILES for 3,4,5,6,7,8,9,10-octahydrocycloocta[c]pyridine is C1=NCCC2=C1CCCCCC2.
What is the InChIKey of 3,4,5,6,7,8,9,10-octahydrocycloocta[c]pyridine?
The InChIKey is IQDUCACUVLSPEG-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H17N/c1-2-4-6-11-9-12-8-7-10(11)5-3-1/h9H,1-8H2.
What are the key properties of 3,4,5,6,7,8,9,10-octahydrocycloocta[c]pyridine?
3,4,5,6,7,8,9,10-octahydrocycloocta[c]pyridine has a molecular weight of 163.26 g/mol, XLogP of 3.11, 0 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3,4,5,6,7,8,9,10-octahydrocycloocta[c]pyridine is sourced from PubChem (CID 123481966), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).