1-[2-(diaminomethylidenehydrazinylidene)butylideneamino]guanidine

C6H14N8 — CID 176520722

IUPAC1-[2-(diaminomethylidenehydrazinylidene)butylideneamino]guanidine
SMILES[H]/N=C(\N)NN=CC(CC)=NN=C(N)N
InChIInChI=1S/C6H14N8/c1-2-4(12-14-6(9)10)3-11-13-5(7)8/h3H,2H2,1H3,(H4,7,8,13)(H4,9,10,14)
InChIKeyDDNVYHHARMNUBE-UHFFFAOYSA-N
MW198.23 g/mol
LogP-1.51
Rot. Bonds4

About 1-[2-(diaminomethylidenehydrazinylidene)butylideneamino]guanidine

1-[2-(diaminomethylidenehydrazinylidene)butylideneamino]guanidine (PubChem CID 176520722) has the molecular formula C6H14N8 and a molecular weight of 198.23 g/mol. Its IUPAC name is 1-[2-(diaminomethylidenehydrazinylidene)butylideneamino]guanidine.

Molecular Properties

Compound Name1-[2-(diaminomethylidenehydrazinylidene)butylideneamino]guanidine
PubChem CID176520722
Molecular FormulaC6H14N8
Molecular Weight198.23 g/mol
Exact Mass198.13
IUPAC Name1-[2-(diaminomethylidenehydrazinylidene)butylideneamino]guanidine
SMILES[H]/N=C(\N)NN=CC(CC)=NN=C(N)N
InChIInChI=1S/C6H14N8/c1-2-4(12-14-6(9)10)3-11-13-5(7)8/h3H,2H2,1H3,(H4,7,8,13)(H4,9,10,14)
InChIKeyDDNVYHHARMNUBE-UHFFFAOYSA-N
XLogP-1.51
TPSA151.02 Ų
H-Bond Donors5
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500198.23
LogP ≤ 5-1.51
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 1-[2-(diaminomethylidenehydrazinylidene)butylideneamino]guanidine?
The IUPAC name of 1-[2-(diaminomethylidenehydrazinylidene)butylideneamino]guanidine (CID 176520722) is 1-[2-(diaminomethylidenehydrazinylidene)butylideneamino]guanidine.
What is the SMILES notation for 1-[2-(diaminomethylidenehydrazinylidene)butylideneamino]guanidine?
The canonical SMILES for 1-[2-(diaminomethylidenehydrazinylidene)butylideneamino]guanidine is [H]/N=C(\N)NN=CC(CC)=NN=C(N)N.
What is the InChIKey of 1-[2-(diaminomethylidenehydrazinylidene)butylideneamino]guanidine?
The InChIKey is DDNVYHHARMNUBE-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H14N8/c1-2-4(12-14-6(9)10)3-11-13-5(7)8/h3H,2H2,1H3,(H4,7,8,13)(H4,9,10,14).
What are the key properties of 1-[2-(diaminomethylidenehydrazinylidene)butylideneamino]guanidine?
1-[2-(diaminomethylidenehydrazinylidene)butylideneamino]guanidine has a molecular weight of 198.23 g/mol, XLogP of -1.51, 4 rotatable bonds, 5 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-(diaminomethylidenehydrazinylidene)butylideneamino]guanidine is sourced from PubChem (CID 176520722), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).