diaminomethylidene-[5-(diaminomethylideneazaniumyl)pentyl]azanium dichloride

C7H20Cl2N6 — CID 135731761

IUPACdiaminomethylidene-[5-(diaminomethylideneazaniumyl)pentyl]azanium dichloride
SMILESNC(N)=[NH+]CCCCC[NH+]=C(N)N.[Cl-].[Cl-]
InChIInChI=1S/C7H18N6.2ClH/c8-6(9)12-4-2-1-3-5-13-7(10)11;;/h1-5H2,(H4,8,9,12)(H4,10,11,13);2*1H
InChIKeyDBEFSJBDPOGIOE-UHFFFAOYSA-N
MW259.18 g/mol
LogP-11.13
Rot. Bonds6

About diaminomethylidene-[5-(diaminomethylideneazaniumyl)pentyl]azanium dichloride

diaminomethylidene-[5-(diaminomethylideneazaniumyl)pentyl]azanium dichloride (PubChem CID 135731761) has the molecular formula C7H20Cl2N6 and a molecular weight of 259.18 g/mol. Its IUPAC name is diaminomethylidene-[5-(diaminomethylideneazaniumyl)pentyl]azanium dichloride.

Molecular Properties

Compound Namediaminomethylidene-[5-(diaminomethylideneazaniumyl)pentyl]azanium dichloride
PubChem CID135731761
Molecular FormulaC7H20Cl2N6
Molecular Weight259.18 g/mol
Exact Mass258.11
IUPAC Namediaminomethylidene-[5-(diaminomethylideneazaniumyl)pentyl]azanium dichloride
SMILESNC(N)=[NH+]CCCCC[NH+]=C(N)N.[Cl-].[Cl-]
InChIInChI=1S/C7H18N6.2ClH/c8-6(9)12-4-2-1-3-5-13-7(10)11;;/h1-5H2,(H4,8,9,12)(H4,10,11,13);2*1H
InChIKeyDBEFSJBDPOGIOE-UHFFFAOYSA-N
XLogP-11.13
TPSA132.02 Ų
H-Bond Donors6
H-Bond Acceptors
Rotatable Bonds6
Heavy Atoms15
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500259.18
LogP ≤ 5-11.13
H-Bond Donors ≤ 56
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 diaminomethylidene-[5-(diaminomethylideneazaniumyl)pentyl]azanium dichloride?
The IUPAC name of diaminomethylidene-[5-(diaminomethylideneazaniumyl)pentyl]azanium dichloride (CID 135731761) is diaminomethylidene-[5-(diaminomethylideneazaniumyl)pentyl]azanium dichloride.
What is the SMILES notation for diaminomethylidene-[5-(diaminomethylideneazaniumyl)pentyl]azanium dichloride?
The canonical SMILES for diaminomethylidene-[5-(diaminomethylideneazaniumyl)pentyl]azanium dichloride is NC(N)=[NH+]CCCCC[NH+]=C(N)N.[Cl-].[Cl-].
What is the InChIKey of diaminomethylidene-[5-(diaminomethylideneazaniumyl)pentyl]azanium dichloride?
The InChIKey is DBEFSJBDPOGIOE-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H18N6.2ClH/c8-6(9)12-4-2-1-3-5-13-7(10)11;;/h1-5H2,(H4,8,9,12)(H4,10,11,13);2*1H.
What are the key properties of diaminomethylidene-[5-(diaminomethylideneazaniumyl)pentyl]azanium dichloride?
diaminomethylidene-[5-(diaminomethylideneazaniumyl)pentyl]azanium dichloride has a molecular weight of 259.18 g/mol, XLogP of -11.13, 6 rotatable bonds, 6 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for diaminomethylidene-[5-(diaminomethylideneazaniumyl)pentyl]azanium dichloride is sourced from PubChem (CID 135731761), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).