(9Z)-1,2,3,4,5,6,7,8-octahydrodiazecine

C8H16N2 — CID 23086495

IUPAC(9Z)-1,2,3,4,5,6,7,8-octahydrodiazecine
SMILESC1=C\NNCCCCCC/1
InChIInChI=1S/C8H16N2/c1-2-4-6-8-10-9-7-5-3-1/h5,7,9-10H,1-4,6,8H2/b7-5-
InChIKeyIXROJJMGOQNTTG-ALCCZGGFSA-N
MW140.23 g/mol
LogP1.56
Rot. Bonds

About (9Z)-1,2,3,4,5,6,7,8-octahydrodiazecine

(9Z)-1,2,3,4,5,6,7,8-octahydrodiazecine (PubChem CID 23086495) has the molecular formula C8H16N2 and a molecular weight of 140.23 g/mol. Its IUPAC name is (9Z)-1,2,3,4,5,6,7,8-octahydrodiazecine.

Molecular Properties

Compound Name(9Z)-1,2,3,4,5,6,7,8-octahydrodiazecine
PubChem CID23086495
Molecular FormulaC8H16N2
Molecular Weight140.23 g/mol
Exact Mass140.13
IUPAC Name(9Z)-1,2,3,4,5,6,7,8-octahydrodiazecine
SMILESC1=C\NNCCCCCC/1
InChIInChI=1S/C8H16N2/c1-2-4-6-8-10-9-7-5-3-1/h5,7,9-10H,1-4,6,8H2/b7-5-
InChIKeyIXROJJMGOQNTTG-ALCCZGGFSA-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 (9Z)-1,2,3,4,5,6,7,8-octahydrodiazecine?
The IUPAC name of (9Z)-1,2,3,4,5,6,7,8-octahydrodiazecine (CID 23086495) is (9Z)-1,2,3,4,5,6,7,8-octahydrodiazecine.
What is the SMILES notation for (9Z)-1,2,3,4,5,6,7,8-octahydrodiazecine?
The canonical SMILES for (9Z)-1,2,3,4,5,6,7,8-octahydrodiazecine is C1=C\NNCCCCCC/1.
What is the InChIKey of (9Z)-1,2,3,4,5,6,7,8-octahydrodiazecine?
The InChIKey is IXROJJMGOQNTTG-ALCCZGGFSA-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/b7-5-.
What are the key properties of (9Z)-1,2,3,4,5,6,7,8-octahydrodiazecine?
(9Z)-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 (9Z)-1,2,3,4,5,6,7,8-octahydrodiazecine is sourced from PubChem (CID 23086495), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).