diaminomethylidene-[(E)-3-methylbutan-2-ylideneamino]azanium

C6H15N4+ — CID 172937754

IUPACdiaminomethylidene-[(E)-3-methylbutan-2-ylideneamino]azanium
SMILESC/C(=N\[NH+]=C(N)N)C(C)C
InChIInChI=1S/C6H14N4/c1-4(2)5(3)9-10-6(7)8/h4H,1-3H3,(H4,7,8,10)/p+1/b9-5+
InChIKeyZVZYLNZLEXSEBW-WEVVVXLNSA-O
MW143.21 g/mol
LogP-1.63
Rot. Bonds2

About diaminomethylidene-[(E)-3-methylbutan-2-ylideneamino]azanium

diaminomethylidene-[(E)-3-methylbutan-2-ylideneamino]azanium (PubChem CID 172937754) has the molecular formula C6H15N4+ and a molecular weight of 143.21 g/mol. Its IUPAC name is diaminomethylidene-[(E)-3-methylbutan-2-ylideneamino]azanium.

Molecular Properties

Compound Namediaminomethylidene-[(E)-3-methylbutan-2-ylideneamino]azanium
PubChem CID172937754
Molecular FormulaC6H15N4+
Molecular Weight143.21 g/mol
Exact Mass143.13
IUPAC Namediaminomethylidene-[(E)-3-methylbutan-2-ylideneamino]azanium
SMILESC/C(=N\[NH+]=C(N)N)C(C)C
InChIInChI=1S/C6H14N4/c1-4(2)5(3)9-10-6(7)8/h4H,1-3H3,(H4,7,8,10)/p+1/b9-5+
InChIKeyZVZYLNZLEXSEBW-WEVVVXLNSA-O
XLogP-1.63
TPSA78.37 Ų
H-Bond Donors3
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500143.21
LogP ≤ 5-1.63
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 101

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 diaminomethylidene-[(E)-3-methylbutan-2-ylideneamino]azanium?
The IUPAC name of diaminomethylidene-[(E)-3-methylbutan-2-ylideneamino]azanium (CID 172937754) is diaminomethylidene-[(E)-3-methylbutan-2-ylideneamino]azanium.
What is the SMILES notation for diaminomethylidene-[(E)-3-methylbutan-2-ylideneamino]azanium?
The canonical SMILES for diaminomethylidene-[(E)-3-methylbutan-2-ylideneamino]azanium is C/C(=N\[NH+]=C(N)N)C(C)C.
What is the InChIKey of diaminomethylidene-[(E)-3-methylbutan-2-ylideneamino]azanium?
The InChIKey is ZVZYLNZLEXSEBW-WEVVVXLNSA-O. The full InChI is InChI=1S/C6H14N4/c1-4(2)5(3)9-10-6(7)8/h4H,1-3H3,(H4,7,8,10)/p+1/b9-5+.
What are the key properties of diaminomethylidene-[(E)-3-methylbutan-2-ylideneamino]azanium?
diaminomethylidene-[(E)-3-methylbutan-2-ylideneamino]azanium has a molecular weight of 143.21 g/mol, XLogP of -1.63, 2 rotatable bonds, 3 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for diaminomethylidene-[(E)-3-methylbutan-2-ylideneamino]azanium is sourced from PubChem (CID 172937754), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).