diaminomethylidene(propyl)azanium

C4H12N3+ — CID 59928039

IUPACdiaminomethylidene(propyl)azanium
SMILESCCC[NH+]=C(N)N
InChIInChI=1S/C4H11N3/c1-2-3-7-4(5)6/h2-3H2,1H3,(H4,5,6,7)/p+1
InChIKeyBWMDMTSNSXYYSP-UHFFFAOYSA-O
MW102.16 g/mol
LogP-2.25
Rot. Bonds2

About diaminomethylidene(propyl)azanium

diaminomethylidene(propyl)azanium (PubChem CID 59928039) has the molecular formula C4H12N3+ and a molecular weight of 102.16 g/mol. Its IUPAC name is diaminomethylidene(propyl)azanium.

Molecular Properties

Compound Namediaminomethylidene(propyl)azanium
PubChem CID59928039
Molecular FormulaC4H12N3+
Molecular Weight102.16 g/mol
Exact Mass102.10
IUPAC Namediaminomethylidene(propyl)azanium
SMILESCCC[NH+]=C(N)N
InChIInChI=1S/C4H11N3/c1-2-3-7-4(5)6/h2-3H2,1H3,(H4,5,6,7)/p+1
InChIKeyBWMDMTSNSXYYSP-UHFFFAOYSA-O
XLogP-2.25
TPSA66.01 Ų
H-Bond Donors3
H-Bond Acceptors
Rotatable Bonds2
Heavy Atoms7
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500102.16
LogP ≤ 5-2.25
H-Bond Donors ≤ 53
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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Frequently Asked Questions

What is the IUPAC name of diaminomethylidene(propyl)azanium?
The IUPAC name of diaminomethylidene(propyl)azanium (CID 59928039) is diaminomethylidene(propyl)azanium.
What is the SMILES notation for diaminomethylidene(propyl)azanium?
The canonical SMILES for diaminomethylidene(propyl)azanium is CCC[NH+]=C(N)N.
What is the InChIKey of diaminomethylidene(propyl)azanium?
The InChIKey is BWMDMTSNSXYYSP-UHFFFAOYSA-O. The full InChI is InChI=1S/C4H11N3/c1-2-3-7-4(5)6/h2-3H2,1H3,(H4,5,6,7)/p+1.
What are the key properties of diaminomethylidene(propyl)azanium?
diaminomethylidene(propyl)azanium has a molecular weight of 102.16 g/mol, XLogP of -2.25, 2 rotatable bonds, 3 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for diaminomethylidene(propyl)azanium is sourced from PubChem (CID 59928039), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).