(7Z)-2,3,4,5,6,9-hexahydro-1H-diazonine

C7H14N2 — CID 23086029

IUPAC(7Z)-2,3,4,5,6,9-hexahydro-1H-diazonine
SMILESC1=C\CNNCCCC/1
InChIInChI=1S/C7H14N2/c1-2-4-6-8-9-7-5-3-1/h2,4,8-9H,1,3,5-7H2/b4-2-
InChIKeyKQSTWLPHKBROPQ-RQOWECAXSA-N
MW126.20 g/mol
LogP0.82
Rot. Bonds

About (7Z)-2,3,4,5,6,9-hexahydro-1H-diazonine

(7Z)-2,3,4,5,6,9-hexahydro-1H-diazonine (PubChem CID 23086029) has the molecular formula C7H14N2 and a molecular weight of 126.20 g/mol. Its IUPAC name is (7Z)-2,3,4,5,6,9-hexahydro-1H-diazonine.

Molecular Properties

Compound Name(7Z)-2,3,4,5,6,9-hexahydro-1H-diazonine
PubChem CID23086029
Molecular FormulaC7H14N2
Molecular Weight126.20 g/mol
Exact Mass126.12
IUPAC Name(7Z)-2,3,4,5,6,9-hexahydro-1H-diazonine
SMILESC1=C\CNNCCCC/1
InChIInChI=1S/C7H14N2/c1-2-4-6-8-9-7-5-3-1/h2,4,8-9H,1,3,5-7H2/b4-2-
InChIKeyKQSTWLPHKBROPQ-RQOWECAXSA-N
XLogP0.82
TPSA24.06 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500126.20
LogP ≤ 50.82
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Related Compounds

2,4-Dihydrophenylhydrazine
CID 13491234
4-Diazepine
CID 21893826
8-Diazaundecene
CID 129807183
4]Diazocine
CID 142789064
Diazacyclotetradec-9-ene
CID 129702081
N,N'-bis(octa-2,7-dien-1-yl)hydrazine
CID 129740184
N-2,7-octadienylhydrazine
CID 129811843
(Hex-5-en-1-yl)hydrazine
CID 13510157
Hex-5-enylhydrazine;hydrochloride
CID 13510158
(10Z)-1,2,3,4-tetrazacyclotetradec-10-ene
CID 18635675
[(E)-hex-4-enyl]hydrazine;hydrochloride
CID 20337536
[(E)-hex-4-enyl]hydrazine
CID 20337537

Frequently Asked Questions

What is the IUPAC name of (7Z)-2,3,4,5,6,9-hexahydro-1H-diazonine?
The IUPAC name of (7Z)-2,3,4,5,6,9-hexahydro-1H-diazonine (CID 23086029) is (7Z)-2,3,4,5,6,9-hexahydro-1H-diazonine.
What is the SMILES notation for (7Z)-2,3,4,5,6,9-hexahydro-1H-diazonine?
The canonical SMILES for (7Z)-2,3,4,5,6,9-hexahydro-1H-diazonine is C1=C\CNNCCCC/1.
What is the InChIKey of (7Z)-2,3,4,5,6,9-hexahydro-1H-diazonine?
The InChIKey is KQSTWLPHKBROPQ-RQOWECAXSA-N. The full InChI is InChI=1S/C7H14N2/c1-2-4-6-8-9-7-5-3-1/h2,4,8-9H,1,3,5-7H2/b4-2-.
What are the key properties of (7Z)-2,3,4,5,6,9-hexahydro-1H-diazonine?
(7Z)-2,3,4,5,6,9-hexahydro-1H-diazonine has a molecular weight of 126.20 g/mol, XLogP of 0.82, 0 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (7Z)-2,3,4,5,6,9-hexahydro-1H-diazonine is sourced from PubChem (CID 23086029), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).