3-diazenylcyclohexan-1-imine

C6H11N3 — CID 70545164

IUPAC3-diazenylcyclohexan-1-imine
SMILES[H]/N=N/C1CCC/C(=N\[H])C1
InChIInChI=1S/C6H11N3/c7-5-2-1-3-6(4-5)9-8/h6-8H,1-4H2/b7-5+,9-8+
InChIKeyIZAXHCPFGAXWAN-ZIRGRKGMSA-N
MW125.17 g/mol
LogP1.98
Rot. Bonds1

About 3-diazenylcyclohexan-1-imine

3-diazenylcyclohexan-1-imine (PubChem CID 70545164) has the molecular formula C6H11N3 and a molecular weight of 125.17 g/mol. Its IUPAC name is 3-diazenylcyclohexan-1-imine.

Molecular Properties

Compound Name3-diazenylcyclohexan-1-imine
PubChem CID70545164
Molecular FormulaC6H11N3
Molecular Weight125.17 g/mol
Exact Mass125.10
IUPAC Name3-diazenylcyclohexan-1-imine
SMILES[H]/N=N/C1CCC/C(=N\[H])C1
InChIInChI=1S/C6H11N3/c7-5-2-1-3-6(4-5)9-8/h6-8H,1-4H2/b7-5+,9-8+
InChIKeyIZAXHCPFGAXWAN-ZIRGRKGMSA-N
XLogP1.98
TPSA60.06 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500125.17
LogP ≤ 51.98
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'azo_A(324)', 'substructure': 'N/A'}, {'alert_name': 'diazo_group', 'substructure': 'N/A'}, {'alert_name': 'imine_1', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 3-diazenylcyclohexan-1-imine?
The IUPAC name of 3-diazenylcyclohexan-1-imine (CID 70545164) is 3-diazenylcyclohexan-1-imine.
What is the SMILES notation for 3-diazenylcyclohexan-1-imine?
The canonical SMILES for 3-diazenylcyclohexan-1-imine is [H]/N=N/C1CCC/C(=N\[H])C1.
What is the InChIKey of 3-diazenylcyclohexan-1-imine?
The InChIKey is IZAXHCPFGAXWAN-ZIRGRKGMSA-N. The full InChI is InChI=1S/C6H11N3/c7-5-2-1-3-6(4-5)9-8/h6-8H,1-4H2/b7-5+,9-8+.
What are the key properties of 3-diazenylcyclohexan-1-imine?
3-diazenylcyclohexan-1-imine has a molecular weight of 125.17 g/mol, XLogP of 1.98, 1 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-diazenylcyclohexan-1-imine is sourced from PubChem (CID 70545164), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).