2-[(Z)-[(3Z)-3-(diaminomethylidenehydrazinylidene)butan-2-ylidene]amino]guanidine

C6H14N8 — CID 5474391

IUPAC2-[(Z)-[(3Z)-3-(diaminomethylidenehydrazinylidene)butan-2-ylidene]amino]guanidine
SMILESCC(=N/N=C(N)N)/C(C)=N\N=C(N)N
InChIInChI=1S/C6H14N8/c1-3(11-13-5(7)8)4(2)12-14-6(9)10/h1-2H3,(H4,7,8,13)(H4,9,10,14)/b11-3-,12-4-
InChIKeyQCPPROTWPVZXKL-LPPGRIHKSA-N
MW198.23 g/mol
LogP-1.72
Rot. Bonds3

About 2-[(Z)-[(3Z)-3-(diaminomethylidenehydrazinylidene)butan-2-ylidene]amino]guanidine

2-[(Z)-[(3Z)-3-(diaminomethylidenehydrazinylidene)butan-2-ylidene]amino]guanidine (PubChem CID 5474391) has the molecular formula C6H14N8 and a molecular weight of 198.23 g/mol. Its IUPAC name is 2-[(Z)-[(3Z)-3-(diaminomethylidenehydrazinylidene)butan-2-ylidene]amino]guanidine.

Molecular Properties

Compound Name2-[(Z)-[(3Z)-3-(diaminomethylidenehydrazinylidene)butan-2-ylidene]amino]guanidine
PubChem CID5474391
Molecular FormulaC6H14N8
Molecular Weight198.23 g/mol
Exact Mass198.13
IUPAC Name2-[(Z)-[(3Z)-3-(diaminomethylidenehydrazinylidene)butan-2-ylidene]amino]guanidine
SMILESCC(=N/N=C(N)N)/C(C)=N\N=C(N)N
InChIInChI=1S/C6H14N8/c1-3(11-13-5(7)8)4(2)12-14-6(9)10/h1-2H3,(H4,7,8,13)(H4,9,10,14)/b11-3-,12-4-
InChIKeyQCPPROTWPVZXKL-LPPGRIHKSA-N
XLogP-1.72
TPSA153.52 Ų
H-Bond Donors4
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500198.23
LogP ≤ 5-1.72
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'}, {'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-[(Z)-[(3Z)-3-(diaminomethylidenehydrazinylidene)butan-2-ylidene]amino]guanidine?
The IUPAC name of 2-[(Z)-[(3Z)-3-(diaminomethylidenehydrazinylidene)butan-2-ylidene]amino]guanidine (CID 5474391) is 2-[(Z)-[(3Z)-3-(diaminomethylidenehydrazinylidene)butan-2-ylidene]amino]guanidine.
What is the SMILES notation for 2-[(Z)-[(3Z)-3-(diaminomethylidenehydrazinylidene)butan-2-ylidene]amino]guanidine?
The canonical SMILES for 2-[(Z)-[(3Z)-3-(diaminomethylidenehydrazinylidene)butan-2-ylidene]amino]guanidine is CC(=N/N=C(N)N)/C(C)=N\N=C(N)N.
What is the InChIKey of 2-[(Z)-[(3Z)-3-(diaminomethylidenehydrazinylidene)butan-2-ylidene]amino]guanidine?
The InChIKey is QCPPROTWPVZXKL-LPPGRIHKSA-N. The full InChI is InChI=1S/C6H14N8/c1-3(11-13-5(7)8)4(2)12-14-6(9)10/h1-2H3,(H4,7,8,13)(H4,9,10,14)/b11-3-,12-4-.
What are the key properties of 2-[(Z)-[(3Z)-3-(diaminomethylidenehydrazinylidene)butan-2-ylidene]amino]guanidine?
2-[(Z)-[(3Z)-3-(diaminomethylidenehydrazinylidene)butan-2-ylidene]amino]guanidine has a molecular weight of 198.23 g/mol, XLogP of -1.72, 3 rotatable bonds, 4 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(Z)-[(3Z)-3-(diaminomethylidenehydrazinylidene)butan-2-ylidene]amino]guanidine is sourced from PubChem (CID 5474391), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).