2-[[(E,4Z)-4-(diaminomethylidenehydrazinylidene)pent-2-en-2-yl]amino]guanidine

C7H16N8 — CID 44576985

IUPAC2-[[(E,4Z)-4-(diaminomethylidenehydrazinylidene)pent-2-en-2-yl]amino]guanidine
SMILESCC(/C=C(\C)NN=C(N)N)=N/N=C(N)N
InChIInChI=1S/C7H16N8/c1-4(12-14-6(8)9)3-5(2)13-15-7(10)11/h3,12H,1-2H3,(H4,8,9,14)(H4,10,11,15)/b4-3+,13-5-
InChIKeyDFGLYSSSRMBBHL-XKZGMXHESA-N
MW212.26 g/mol
LogP-1.68
Rot. Bonds4

About 2-[[(E,4Z)-4-(diaminomethylidenehydrazinylidene)pent-2-en-2-yl]amino]guanidine

2-[[(E,4Z)-4-(diaminomethylidenehydrazinylidene)pent-2-en-2-yl]amino]guanidine (PubChem CID 44576985) has the molecular formula C7H16N8 and a molecular weight of 212.26 g/mol. Its IUPAC name is 2-[[(E,4Z)-4-(diaminomethylidenehydrazinylidene)pent-2-en-2-yl]amino]guanidine.

Molecular Properties

Compound Name2-[[(E,4Z)-4-(diaminomethylidenehydrazinylidene)pent-2-en-2-yl]amino]guanidine
PubChem CID44576985
Molecular FormulaC7H16N8
Molecular Weight212.26 g/mol
Exact Mass212.15
IUPAC Name2-[[(E,4Z)-4-(diaminomethylidenehydrazinylidene)pent-2-en-2-yl]amino]guanidine
SMILESCC(/C=C(\C)NN=C(N)N)=N/N=C(N)N
InChIInChI=1S/C7H16N8/c1-4(12-14-6(8)9)3-5(2)13-15-7(10)11/h3,12H,1-2H3,(H4,8,9,14)(H4,10,11,15)/b4-3+,13-5-
InChIKeyDFGLYSSSRMBBHL-XKZGMXHESA-N
XLogP-1.68
TPSA153.19 Ų
H-Bond Donors5
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500212.26
LogP ≤ 5-1.68
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-[[(E,4Z)-4-(diaminomethylidenehydrazinylidene)pent-2-en-2-yl]amino]guanidine?
The IUPAC name of 2-[[(E,4Z)-4-(diaminomethylidenehydrazinylidene)pent-2-en-2-yl]amino]guanidine (CID 44576985) is 2-[[(E,4Z)-4-(diaminomethylidenehydrazinylidene)pent-2-en-2-yl]amino]guanidine.
What is the SMILES notation for 2-[[(E,4Z)-4-(diaminomethylidenehydrazinylidene)pent-2-en-2-yl]amino]guanidine?
The canonical SMILES for 2-[[(E,4Z)-4-(diaminomethylidenehydrazinylidene)pent-2-en-2-yl]amino]guanidine is CC(/C=C(\C)NN=C(N)N)=N/N=C(N)N.
What is the InChIKey of 2-[[(E,4Z)-4-(diaminomethylidenehydrazinylidene)pent-2-en-2-yl]amino]guanidine?
The InChIKey is DFGLYSSSRMBBHL-XKZGMXHESA-N. The full InChI is InChI=1S/C7H16N8/c1-4(12-14-6(8)9)3-5(2)13-15-7(10)11/h3,12H,1-2H3,(H4,8,9,14)(H4,10,11,15)/b4-3+,13-5-.
What are the key properties of 2-[[(E,4Z)-4-(diaminomethylidenehydrazinylidene)pent-2-en-2-yl]amino]guanidine?
2-[[(E,4Z)-4-(diaminomethylidenehydrazinylidene)pent-2-en-2-yl]amino]guanidine has a molecular weight of 212.26 g/mol, XLogP of -1.68, 4 rotatable bonds, 5 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[(E,4Z)-4-(diaminomethylidenehydrazinylidene)pent-2-en-2-yl]amino]guanidine is sourced from PubChem (CID 44576985), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).