1,2,3,4,5,6,7,8-octahydrodiazecine

C8H16N2 — CID 66902796

IUPAC1,2,3,4,5,6,7,8-octahydrodiazecine
SMILESC1=CNNCCCCCC1
InChIInChI=1S/C8H16N2/c1-2-4-6-8-10-9-7-5-3-1/h5,7,9-10H,1-4,6,8H2
InChIKeyIXROJJMGOQNTTG-UHFFFAOYSA-N
MW140.23 g/mol
LogP1.56
Rot. Bonds

About 1,2,3,4,5,6,7,8-octahydrodiazecine

1,2,3,4,5,6,7,8-octahydrodiazecine (PubChem CID 66902796) has the molecular formula C8H16N2 and a molecular weight of 140.23 g/mol. Its IUPAC name is 1,2,3,4,5,6,7,8-octahydrodiazecine.

Molecular Properties

Compound Name1,2,3,4,5,6,7,8-octahydrodiazecine
PubChem CID66902796
Molecular FormulaC8H16N2
Molecular Weight140.23 g/mol
Exact Mass140.13
IUPAC Name1,2,3,4,5,6,7,8-octahydrodiazecine
SMILESC1=CNNCCCCCC1
InChIInChI=1S/C8H16N2/c1-2-4-6-8-10-9-7-5-3-1/h5,7,9-10H,1-4,6,8H2
InChIKeyIXROJJMGOQNTTG-UHFFFAOYSA-N
XLogP1.56
TPSA24.06 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500140.23
LogP ≤ 51.56
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1,2,3,4,5,6,7,8-octahydrodiazecine?
The IUPAC name of 1,2,3,4,5,6,7,8-octahydrodiazecine (CID 66902796) is 1,2,3,4,5,6,7,8-octahydrodiazecine.
What is the SMILES notation for 1,2,3,4,5,6,7,8-octahydrodiazecine?
The canonical SMILES for 1,2,3,4,5,6,7,8-octahydrodiazecine is C1=CNNCCCCCC1.
What is the InChIKey of 1,2,3,4,5,6,7,8-octahydrodiazecine?
The InChIKey is IXROJJMGOQNTTG-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H16N2/c1-2-4-6-8-10-9-7-5-3-1/h5,7,9-10H,1-4,6,8H2.
What are the key properties of 1,2,3,4,5,6,7,8-octahydrodiazecine?
1,2,3,4,5,6,7,8-octahydrodiazecine has a molecular weight of 140.23 g/mol, XLogP of 1.56, 0 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1,2,3,4,5,6,7,8-octahydrodiazecine is sourced from PubChem (CID 66902796), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).