diaminomethylidene-[5-(diaminomethylideneamino)pentyl]azanium

C7H19N6+ — CID 137332092

IUPACdiaminomethylidene-[5-(diaminomethylideneamino)pentyl]azanium
SMILESNC(N)=NCCCCC[NH+]=C(N)N
InChIInChI=1S/C7H18N6/c8-6(9)12-4-2-1-3-5-13-7(10)11/h1-5H2,(H4,8,9,12)(H4,10,11,13)/p+1
InChIKeyFIHKQNOFFQZHRM-UHFFFAOYSA-O
MW187.27 g/mol
LogP-3.22
Rot. Bonds6

About diaminomethylidene-[5-(diaminomethylideneamino)pentyl]azanium

diaminomethylidene-[5-(diaminomethylideneamino)pentyl]azanium (PubChem CID 137332092) has the molecular formula C7H19N6+ and a molecular weight of 187.27 g/mol. Its IUPAC name is diaminomethylidene-[5-(diaminomethylideneamino)pentyl]azanium.

Molecular Properties

Compound Namediaminomethylidene-[5-(diaminomethylideneamino)pentyl]azanium
PubChem CID137332092
Molecular FormulaC7H19N6+
Molecular Weight187.27 g/mol
Exact Mass187.17
IUPAC Namediaminomethylidene-[5-(diaminomethylideneamino)pentyl]azanium
SMILESNC(N)=NCCCCC[NH+]=C(N)N
InChIInChI=1S/C7H18N6/c8-6(9)12-4-2-1-3-5-13-7(10)11/h1-5H2,(H4,8,9,12)(H4,10,11,13)/p+1
InChIKeyFIHKQNOFFQZHRM-UHFFFAOYSA-O
XLogP-3.22
TPSA130.41 Ų
H-Bond Donors5
H-Bond Acceptors1
Rotatable Bonds6
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500187.27
LogP ≤ 5-3.22
H-Bond Donors ≤ 55
H-Bond Acceptors ≤ 101

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-(diaminomethylideneamino)pentyl]azanium?
The IUPAC name of diaminomethylidene-[5-(diaminomethylideneamino)pentyl]azanium (CID 137332092) is diaminomethylidene-[5-(diaminomethylideneamino)pentyl]azanium.
What is the SMILES notation for diaminomethylidene-[5-(diaminomethylideneamino)pentyl]azanium?
The canonical SMILES for diaminomethylidene-[5-(diaminomethylideneamino)pentyl]azanium is NC(N)=NCCCCC[NH+]=C(N)N.
What is the InChIKey of diaminomethylidene-[5-(diaminomethylideneamino)pentyl]azanium?
The InChIKey is FIHKQNOFFQZHRM-UHFFFAOYSA-O. The full InChI is InChI=1S/C7H18N6/c8-6(9)12-4-2-1-3-5-13-7(10)11/h1-5H2,(H4,8,9,12)(H4,10,11,13)/p+1.
What are the key properties of diaminomethylidene-[5-(diaminomethylideneamino)pentyl]azanium?
diaminomethylidene-[5-(diaminomethylideneamino)pentyl]azanium has a molecular weight of 187.27 g/mol, XLogP of -3.22, 6 rotatable bonds, 5 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for diaminomethylidene-[5-(diaminomethylideneamino)pentyl]azanium is sourced from PubChem (CID 137332092), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).