1,3-bis[(E)-ethylideneamino]-2-[(Z)-ethylideneamino]guanidine

C7H14N6 — CID 146551379

IUPAC1,3-bis[(E)-ethylideneamino]-2-[(Z)-ethylideneamino]guanidine
SMILESC/C=N\N=C(N/N=C/C)N/N=C/C
InChIInChI=1S/C7H14N6/c1-4-8-11-7(12-9-5-2)13-10-6-3/h4-6H,1-3H3,(H2,11,12,13)/b8-4-,9-5+,10-6+
InChIKeyQDDOFSCEMUEYSV-JCLKPIFKSA-N
MW182.23 g/mol
LogP0.54
Rot. Bonds3

About 1,3-bis[(E)-ethylideneamino]-2-[(Z)-ethylideneamino]guanidine

1,3-bis[(E)-ethylideneamino]-2-[(Z)-ethylideneamino]guanidine (PubChem CID 146551379) has the molecular formula C7H14N6 and a molecular weight of 182.23 g/mol. Its IUPAC name is 1,3-bis[(E)-ethylideneamino]-2-[(Z)-ethylideneamino]guanidine.

Molecular Properties

Compound Name1,3-bis[(E)-ethylideneamino]-2-[(Z)-ethylideneamino]guanidine
PubChem CID146551379
Molecular FormulaC7H14N6
Molecular Weight182.23 g/mol
Exact Mass182.13
IUPAC Name1,3-bis[(E)-ethylideneamino]-2-[(Z)-ethylideneamino]guanidine
SMILESC/C=N\N=C(N/N=C/C)N/N=C/C
InChIInChI=1S/C7H14N6/c1-4-8-11-7(12-9-5-2)13-10-6-3/h4-6H,1-3H3,(H2,11,12,13)/b8-4-,9-5+,10-6+
InChIKeyQDDOFSCEMUEYSV-JCLKPIFKSA-N
XLogP0.54
TPSA73.50 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500182.23
LogP ≤ 50.54
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'imine_2', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 1,3-bis[(E)-ethylideneamino]-2-[(Z)-ethylideneamino]guanidine?
The IUPAC name of 1,3-bis[(E)-ethylideneamino]-2-[(Z)-ethylideneamino]guanidine (CID 146551379) is 1,3-bis[(E)-ethylideneamino]-2-[(Z)-ethylideneamino]guanidine.
What is the SMILES notation for 1,3-bis[(E)-ethylideneamino]-2-[(Z)-ethylideneamino]guanidine?
The canonical SMILES for 1,3-bis[(E)-ethylideneamino]-2-[(Z)-ethylideneamino]guanidine is C/C=N\N=C(N/N=C/C)N/N=C/C.
What is the InChIKey of 1,3-bis[(E)-ethylideneamino]-2-[(Z)-ethylideneamino]guanidine?
The InChIKey is QDDOFSCEMUEYSV-JCLKPIFKSA-N. The full InChI is InChI=1S/C7H14N6/c1-4-8-11-7(12-9-5-2)13-10-6-3/h4-6H,1-3H3,(H2,11,12,13)/b8-4-,9-5+,10-6+.
What are the key properties of 1,3-bis[(E)-ethylideneamino]-2-[(Z)-ethylideneamino]guanidine?
1,3-bis[(E)-ethylideneamino]-2-[(Z)-ethylideneamino]guanidine has a molecular weight of 182.23 g/mol, XLogP of 0.54, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1,3-bis[(E)-ethylideneamino]-2-[(Z)-ethylideneamino]guanidine is sourced from PubChem (CID 146551379), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).