cyclohexane-1,2,3,4-tetraimine

C6H8N4 — CID 91465388

IUPACcyclohexane-1,2,3,4-tetraimine
SMILES[H]/N=C1CCC(=N\[H])/C(=N\[H])C\1=N/[H]
InChIInChI=1S/C6H8N4/c7-3-1-2-4(8)6(10)5(3)9/h7-10H,1-2H2/b7-3+,8-4+,9-5+,10-6+
InChIKeyWCBNHAJHRNMLCS-JMFUVXGRSA-N
MW136.16 g/mol
LogP0.86
Rot. Bonds

About cyclohexane-1,2,3,4-tetraimine

cyclohexane-1,2,3,4-tetraimine (PubChem CID 91465388) has the molecular formula C6H8N4 and a molecular weight of 136.16 g/mol. Its IUPAC name is cyclohexane-1,2,3,4-tetraimine.

Molecular Properties

Compound Namecyclohexane-1,2,3,4-tetraimine
PubChem CID91465388
Molecular FormulaC6H8N4
Molecular Weight136.16 g/mol
Exact Mass136.07
IUPAC Namecyclohexane-1,2,3,4-tetraimine
SMILES[H]/N=C1CCC(=N\[H])/C(=N\[H])C\1=N/[H]
InChIInChI=1S/C6H8N4/c7-3-1-2-4(8)6(10)5(3)9/h7-10H,1-2H2/b7-3+,8-4+,9-5+,10-6+
InChIKeyWCBNHAJHRNMLCS-JMFUVXGRSA-N
XLogP0.86
TPSA95.40 Ų
H-Bond Donors4
H-Bond Acceptors4
Rotatable Bonds
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500136.16
LogP ≤ 50.86
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_one_A(321)', 'substructure': 'N/A'}, {'alert_name': 'imine_1', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of cyclohexane-1,2,3,4-tetraimine?
The IUPAC name of cyclohexane-1,2,3,4-tetraimine (CID 91465388) is cyclohexane-1,2,3,4-tetraimine.
What is the SMILES notation for cyclohexane-1,2,3,4-tetraimine?
The canonical SMILES for cyclohexane-1,2,3,4-tetraimine is [H]/N=C1CCC(=N\[H])/C(=N\[H])C\1=N/[H].
What is the InChIKey of cyclohexane-1,2,3,4-tetraimine?
The InChIKey is WCBNHAJHRNMLCS-JMFUVXGRSA-N. The full InChI is InChI=1S/C6H8N4/c7-3-1-2-4(8)6(10)5(3)9/h7-10H,1-2H2/b7-3+,8-4+,9-5+,10-6+.
What are the key properties of cyclohexane-1,2,3,4-tetraimine?
cyclohexane-1,2,3,4-tetraimine has a molecular weight of 136.16 g/mol, XLogP of 0.86, 0 rotatable bonds, 4 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for cyclohexane-1,2,3,4-tetraimine is sourced from PubChem (CID 91465388), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).