2-(diaminomethylideneamino)-1-[(E)-2-iminoethylideneamino]guanidine

C4H10N8 — CID 146569362

IUPAC2-(diaminomethylideneamino)-1-[(E)-2-iminoethylideneamino]guanidine
SMILES[H]/N=C/C=N/N/C(N)=N/N=C(N)N
InChIInChI=1S/C4H10N8/c5-1-2-9-11-4(8)12-10-3(6)7/h1-2,5H,(H4,6,7,10)(H3,8,11,12)/b5-1+,9-2+
InChIKeyPAYOQHIUGQIPBQ-ZSSQTCEHSA-N
MW170.18 g/mol
LogP-2.29
Rot. Bonds3

About 2-(diaminomethylideneamino)-1-[(E)-2-iminoethylideneamino]guanidine

2-(diaminomethylideneamino)-1-[(E)-2-iminoethylideneamino]guanidine (PubChem CID 146569362) has the molecular formula C4H10N8 and a molecular weight of 170.18 g/mol. Its IUPAC name is 2-(diaminomethylideneamino)-1-[(E)-2-iminoethylideneamino]guanidine.

Molecular Properties

Compound Name2-(diaminomethylideneamino)-1-[(E)-2-iminoethylideneamino]guanidine
PubChem CID146569362
Molecular FormulaC4H10N8
Molecular Weight170.18 g/mol
Exact Mass170.10
IUPAC Name2-(diaminomethylideneamino)-1-[(E)-2-iminoethylideneamino]guanidine
SMILES[H]/N=C/C=N/N/C(N)=N/N=C(N)N
InChIInChI=1S/C4H10N8/c5-1-2-9-11-4(8)12-10-3(6)7/h1-2,5H,(H4,6,7,10)(H3,8,11,12)/b5-1+,9-2+
InChIKeyPAYOQHIUGQIPBQ-ZSSQTCEHSA-N
XLogP-2.29
TPSA151.02 Ų
H-Bond Donors5
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500170.18
LogP ≤ 5-2.29
H-Bond Donors ≤ 55
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 2-(diaminomethylideneamino)-1-[(E)-2-iminoethylideneamino]guanidine?
The IUPAC name of 2-(diaminomethylideneamino)-1-[(E)-2-iminoethylideneamino]guanidine (CID 146569362) is 2-(diaminomethylideneamino)-1-[(E)-2-iminoethylideneamino]guanidine.
What is the SMILES notation for 2-(diaminomethylideneamino)-1-[(E)-2-iminoethylideneamino]guanidine?
The canonical SMILES for 2-(diaminomethylideneamino)-1-[(E)-2-iminoethylideneamino]guanidine is [H]/N=C/C=N/N/C(N)=N/N=C(N)N.
What is the InChIKey of 2-(diaminomethylideneamino)-1-[(E)-2-iminoethylideneamino]guanidine?
The InChIKey is PAYOQHIUGQIPBQ-ZSSQTCEHSA-N. The full InChI is InChI=1S/C4H10N8/c5-1-2-9-11-4(8)12-10-3(6)7/h1-2,5H,(H4,6,7,10)(H3,8,11,12)/b5-1+,9-2+.
What are the key properties of 2-(diaminomethylideneamino)-1-[(E)-2-iminoethylideneamino]guanidine?
2-(diaminomethylideneamino)-1-[(E)-2-iminoethylideneamino]guanidine has a molecular weight of 170.18 g/mol, XLogP of -2.29, 3 rotatable bonds, 5 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(diaminomethylideneamino)-1-[(E)-2-iminoethylideneamino]guanidine is sourced from PubChem (CID 146569362), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).