(7Z)-1,2,3,4,5,6-hexahydrodiazocine

C6H12N2 — CID 23086373

IUPAC(7Z)-1,2,3,4,5,6-hexahydrodiazocine
SMILESC1=C\NNCCCC/1
InChIInChI=1S/C6H12N2/c1-2-4-6-8-7-5-3-1/h3,5,7-8H,1-2,4,6H2/b5-3-
InChIKeyVBUSXUKJEOMRAR-HYXAFXHYSA-N
MW112.18 g/mol
LogP0.78
Rot. Bonds

About (7Z)-1,2,3,4,5,6-hexahydrodiazocine

(7Z)-1,2,3,4,5,6-hexahydrodiazocine (PubChem CID 23086373) has the molecular formula C6H12N2 and a molecular weight of 112.18 g/mol. Its IUPAC name is (7Z)-1,2,3,4,5,6-hexahydrodiazocine.

Molecular Properties

Compound Name(7Z)-1,2,3,4,5,6-hexahydrodiazocine
PubChem CID23086373
Molecular FormulaC6H12N2
Molecular Weight112.18 g/mol
Exact Mass112.10
IUPAC Name(7Z)-1,2,3,4,5,6-hexahydrodiazocine
SMILESC1=C\NNCCCC/1
InChIInChI=1S/C6H12N2/c1-2-4-6-8-7-5-3-1/h3,5,7-8H,1-2,4,6H2/b5-3-
InChIKeyVBUSXUKJEOMRAR-HYXAFXHYSA-N
XLogP0.78
TPSA24.06 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500112.18
LogP ≤ 50.78
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

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Tetrahydrodiazepine
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4]Triazepine
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7-Tetrazocine
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(Hex-5-en-1-yl)hydrazine
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Hex-5-enylhydrazine;hydrochloride
CID 13510158
(9Z)-1,2,3,4,5,6,7,8-octahydrodiazecine
CID 23086495
(Pent-4-en-1-yl)hydrazine
CID 57270176
1,2,3,4,5,6-Hexahydrodiazocine
CID 66659176
1,2,3,4,5,6,7,8-Octahydrodiazecine
CID 66902796
2,3,4,5,6,7-hexahydro-1H-diazonine
CID 66903415
1,2,3,4,5,6-Hexahydrotriazocine
CID 74015726

Frequently Asked Questions

What is the IUPAC name of (7Z)-1,2,3,4,5,6-hexahydrodiazocine?
The IUPAC name of (7Z)-1,2,3,4,5,6-hexahydrodiazocine (CID 23086373) is (7Z)-1,2,3,4,5,6-hexahydrodiazocine.
What is the SMILES notation for (7Z)-1,2,3,4,5,6-hexahydrodiazocine?
The canonical SMILES for (7Z)-1,2,3,4,5,6-hexahydrodiazocine is C1=C\NNCCCC/1.
What is the InChIKey of (7Z)-1,2,3,4,5,6-hexahydrodiazocine?
The InChIKey is VBUSXUKJEOMRAR-HYXAFXHYSA-N. The full InChI is InChI=1S/C6H12N2/c1-2-4-6-8-7-5-3-1/h3,5,7-8H,1-2,4,6H2/b5-3-.
What are the key properties of (7Z)-1,2,3,4,5,6-hexahydrodiazocine?
(7Z)-1,2,3,4,5,6-hexahydrodiazocine has a molecular weight of 112.18 g/mol, XLogP of 0.78, 0 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (7Z)-1,2,3,4,5,6-hexahydrodiazocine is sourced from PubChem (CID 23086373), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).