4-azaniumylpentyl(diaminomethylidene)azanium

C6H18N4+2 — CID 72649386

IUPAC4-azaniumylpentyl(diaminomethylidene)azanium
SMILESCC([NH3+])CCC[NH+]=C(N)N
InChIInChI=1S/C6H16N4/c1-5(7)3-2-4-10-6(8)9/h5H,2-4,7H2,1H3,(H4,8,9,10)/p+2
InChIKeyDYOKHDPMROZFEW-UHFFFAOYSA-P
MW146.24 g/mol
LogP-3.25
Rot. Bonds4

About 4-azaniumylpentyl(diaminomethylidene)azanium

4-azaniumylpentyl(diaminomethylidene)azanium (PubChem CID 72649386) has the molecular formula C6H18N4+2 and a molecular weight of 146.24 g/mol. Its IUPAC name is 4-azaniumylpentyl(diaminomethylidene)azanium.

Molecular Properties

Compound Name4-azaniumylpentyl(diaminomethylidene)azanium
PubChem CID72649386
Molecular FormulaC6H18N4+2
Molecular Weight146.24 g/mol
Exact Mass146.15
IUPAC Name4-azaniumylpentyl(diaminomethylidene)azanium
SMILESCC([NH3+])CCC[NH+]=C(N)N
InChIInChI=1S/C6H16N4/c1-5(7)3-2-4-10-6(8)9/h5H,2-4,7H2,1H3,(H4,8,9,10)/p+2
InChIKeyDYOKHDPMROZFEW-UHFFFAOYSA-P
XLogP-3.25
TPSA93.65 Ų
H-Bond Donors4
H-Bond Acceptors
Rotatable Bonds4
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500146.24
LogP ≤ 5-3.25
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'imine_2', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 4-azaniumylpentyl(diaminomethylidene)azanium?
The IUPAC name of 4-azaniumylpentyl(diaminomethylidene)azanium (CID 72649386) is 4-azaniumylpentyl(diaminomethylidene)azanium.
What is the SMILES notation for 4-azaniumylpentyl(diaminomethylidene)azanium?
The canonical SMILES for 4-azaniumylpentyl(diaminomethylidene)azanium is CC([NH3+])CCC[NH+]=C(N)N.
What is the InChIKey of 4-azaniumylpentyl(diaminomethylidene)azanium?
The InChIKey is DYOKHDPMROZFEW-UHFFFAOYSA-P. The full InChI is InChI=1S/C6H16N4/c1-5(7)3-2-4-10-6(8)9/h5H,2-4,7H2,1H3,(H4,8,9,10)/p+2.
What are the key properties of 4-azaniumylpentyl(diaminomethylidene)azanium?
4-azaniumylpentyl(diaminomethylidene)azanium has a molecular weight of 146.24 g/mol, XLogP of -3.25, 4 rotatable bonds, 4 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 4-azaniumylpentyl(diaminomethylidene)azanium is sourced from PubChem (CID 72649386), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).