1-[(Z)-ethylideneamino]-3-[(E)-ethylideneamino]-2-methylguanidine

C6H13N5 — CID 146551963

IUPAC1-[(Z)-ethylideneamino]-3-[(E)-ethylideneamino]-2-methylguanidine
SMILESC/C=N\N/C(=N/C)N/N=C/C
InChIInChI=1S/C6H13N5/c1-4-8-10-6(7-3)11-9-5-2/h4-5H,1-3H3,(H2,7,10,11)/b8-4-,9-5+
InChIKeyPMFRWXBQEHKUGT-MVTUOISNSA-N
MW155.20 g/mol
LogP0.16
Rot. Bonds2

About 1-[(Z)-ethylideneamino]-3-[(E)-ethylideneamino]-2-methylguanidine

1-[(Z)-ethylideneamino]-3-[(E)-ethylideneamino]-2-methylguanidine (PubChem CID 146551963) has the molecular formula C6H13N5 and a molecular weight of 155.20 g/mol. Its IUPAC name is 1-[(Z)-ethylideneamino]-3-[(E)-ethylideneamino]-2-methylguanidine.

Molecular Properties

Compound Name1-[(Z)-ethylideneamino]-3-[(E)-ethylideneamino]-2-methylguanidine
PubChem CID146551963
Molecular FormulaC6H13N5
Molecular Weight155.20 g/mol
Exact Mass155.12
IUPAC Name1-[(Z)-ethylideneamino]-3-[(E)-ethylideneamino]-2-methylguanidine
SMILESC/C=N\N/C(=N/C)N/N=C/C
InChIInChI=1S/C6H13N5/c1-4-8-10-6(7-3)11-9-5-2/h4-5H,1-3H3,(H2,7,10,11)/b8-4-,9-5+
InChIKeyPMFRWXBQEHKUGT-MVTUOISNSA-N
XLogP0.16
TPSA61.14 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500155.20
LogP ≤ 50.16
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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-[(Z)-ethylideneamino]-3-[(E)-ethylideneamino]-2-methylguanidine?
The IUPAC name of 1-[(Z)-ethylideneamino]-3-[(E)-ethylideneamino]-2-methylguanidine (CID 146551963) is 1-[(Z)-ethylideneamino]-3-[(E)-ethylideneamino]-2-methylguanidine.
What is the SMILES notation for 1-[(Z)-ethylideneamino]-3-[(E)-ethylideneamino]-2-methylguanidine?
The canonical SMILES for 1-[(Z)-ethylideneamino]-3-[(E)-ethylideneamino]-2-methylguanidine is C/C=N\N/C(=N/C)N/N=C/C.
What is the InChIKey of 1-[(Z)-ethylideneamino]-3-[(E)-ethylideneamino]-2-methylguanidine?
The InChIKey is PMFRWXBQEHKUGT-MVTUOISNSA-N. The full InChI is InChI=1S/C6H13N5/c1-4-8-10-6(7-3)11-9-5-2/h4-5H,1-3H3,(H2,7,10,11)/b8-4-,9-5+.
What are the key properties of 1-[(Z)-ethylideneamino]-3-[(E)-ethylideneamino]-2-methylguanidine?
1-[(Z)-ethylideneamino]-3-[(E)-ethylideneamino]-2-methylguanidine has a molecular weight of 155.20 g/mol, XLogP of 0.16, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(Z)-ethylideneamino]-3-[(E)-ethylideneamino]-2-methylguanidine is sourced from PubChem (CID 146551963), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).