diaminomethylideneazanium

C3H18N9+3 — CID 159865870

IUPACdiaminomethylideneazanium
SMILESNC(N)=[NH2+].NC(N)=[NH2+].NC(N)=[NH2+]
InChIInChI=1S/3CH5N3/c3*2-1(3)4/h3*(H5,2,3,4)/p+3
InChIKeyNRSJVZICLCJQNB-UHFFFAOYSA-Q
MW180.24 g/mol
LogP-8.94
Rot. Bonds

About diaminomethylideneazanium

diaminomethylideneazanium (PubChem CID 159865870) has the molecular formula C3H18N9+3 and a molecular weight of 180.24 g/mol. Its IUPAC name is diaminomethylideneazanium.

Molecular Properties

Compound Namediaminomethylideneazanium
PubChem CID159865870
Molecular FormulaC3H18N9+3
Molecular Weight180.24 g/mol
Exact Mass180.17
IUPAC Namediaminomethylideneazanium
SMILESNC(N)=[NH2+].NC(N)=[NH2+].NC(N)=[NH2+]
InChIInChI=1S/3CH5N3/c3*2-1(3)4/h3*(H5,2,3,4)/p+3
InChIKeyNRSJVZICLCJQNB-UHFFFAOYSA-Q
XLogP-8.94
TPSA232.89 Ų
H-Bond Donors9
H-Bond Acceptors
Rotatable Bonds
Heavy Atoms12
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500180.24
LogP ≤ 5-8.94
H-Bond Donors ≤ 59
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

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

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Related Compounds

CID 20080354
CID 20080354
Nickel diamidine
CID 172011534
CID 87073443
CID 87073443
2-Aminoguanidine;bis(guanidine)
CID 87282941
Diaminomethylideneazanium;iminomethanamine
CID 140042954
Bis(diaminomethylideneazanium);iminomethylideneazanide
CID 141602122
Tris(guanidine);hydron
CID 159865869
Diaminomethylideneazanium;tris(guanidine);hydron
CID 161072040
Tris(diaminomethylideneazanium);trichloride
CID 161127365
Tris(guanidine);hydrochloride
CID 161493804
Carbamimidoylazanide;yttrium(3+)
CID 170554692
Carbamimidoylazanide;lanthanum(3+)
CID 170554693

Frequently Asked Questions

What is the IUPAC name of diaminomethylideneazanium?
The IUPAC name of diaminomethylideneazanium (CID 159865870) is diaminomethylideneazanium.
What is the SMILES notation for diaminomethylideneazanium?
The canonical SMILES for diaminomethylideneazanium is NC(N)=[NH2+].NC(N)=[NH2+].NC(N)=[NH2+].
What is the InChIKey of diaminomethylideneazanium?
The InChIKey is NRSJVZICLCJQNB-UHFFFAOYSA-Q. The full InChI is InChI=1S/3CH5N3/c3*2-1(3)4/h3*(H5,2,3,4)/p+3.
What are the key properties of diaminomethylideneazanium?
diaminomethylideneazanium has a molecular weight of 180.24 g/mol, XLogP of -8.94, 0 rotatable bonds, 9 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for diaminomethylideneazanium is sourced from PubChem (CID 159865870), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).