2,3,4,5,6,7,8,9-octahydroazecine

C9H17N — CID 57054376

IUPAC2,3,4,5,6,7,8,9-octahydroazecine
SMILESC1=N\CCCCCCCC/1
InChIInChI=1S/C9H17N/c1-2-4-6-8-10-9-7-5-3-1/h8H,1-7,9H2/b10-8-
InChIKeyFWSUGYADCWYINF-NTMALXAHSA-N
MW139.24 g/mol
LogP2.80
Rot. Bonds

About 2,3,4,5,6,7,8,9-octahydroazecine

2,3,4,5,6,7,8,9-octahydroazecine (PubChem CID 57054376) has the molecular formula C9H17N and a molecular weight of 139.24 g/mol. Its IUPAC name is 2,3,4,5,6,7,8,9-octahydroazecine.

Molecular Properties

Compound Name2,3,4,5,6,7,8,9-octahydroazecine
PubChem CID57054376
Molecular FormulaC9H17N
Molecular Weight139.24 g/mol
Exact Mass139.14
IUPAC Name2,3,4,5,6,7,8,9-octahydroazecine
SMILESC1=N\CCCCCCCC/1
InChIInChI=1S/C9H17N/c1-2-4-6-8-10-9-7-5-3-1/h8H,1-7,9H2/b10-8-
InChIKeyFWSUGYADCWYINF-NTMALXAHSA-N
XLogP2.80
TPSA12.36 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500139.24
LogP ≤ 52.80
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 2,3,4,5,6,7,8,9-octahydroazecine?
The IUPAC name of 2,3,4,5,6,7,8,9-octahydroazecine (CID 57054376) is 2,3,4,5,6,7,8,9-octahydroazecine.
What is the SMILES notation for 2,3,4,5,6,7,8,9-octahydroazecine?
The canonical SMILES for 2,3,4,5,6,7,8,9-octahydroazecine is C1=N\CCCCCCCC/1.
What is the InChIKey of 2,3,4,5,6,7,8,9-octahydroazecine?
The InChIKey is FWSUGYADCWYINF-NTMALXAHSA-N. The full InChI is InChI=1S/C9H17N/c1-2-4-6-8-10-9-7-5-3-1/h8H,1-7,9H2/b10-8-.
What are the key properties of 2,3,4,5,6,7,8,9-octahydroazecine?
2,3,4,5,6,7,8,9-octahydroazecine has a molecular weight of 139.24 g/mol, XLogP of 2.80, 0 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2,3,4,5,6,7,8,9-octahydroazecine is sourced from PubChem (CID 57054376), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).