diaminomethylidene(propan-2-yl)azanium

C4H12N3+ — CID 21364731

IUPACdiaminomethylidene(propan-2-yl)azanium
SMILESCC(C)[NH+]=C(N)N
InChIInChI=1S/C4H11N3/c1-3(2)7-4(5)6/h3H,1-2H3,(H4,5,6,7)/p+1
InChIKeyUZEKTDVGUQCDBI-UHFFFAOYSA-O
MW102.16 g/mol
LogP-2.25
Rot. Bonds1

About diaminomethylidene(propan-2-yl)azanium

diaminomethylidene(propan-2-yl)azanium (PubChem CID 21364731) has the molecular formula C4H12N3+ and a molecular weight of 102.16 g/mol. Its IUPAC name is diaminomethylidene(propan-2-yl)azanium.

Molecular Properties

Compound Namediaminomethylidene(propan-2-yl)azanium
PubChem CID21364731
Molecular FormulaC4H12N3+
Molecular Weight102.16 g/mol
Exact Mass102.10
IUPAC Namediaminomethylidene(propan-2-yl)azanium
SMILESCC(C)[NH+]=C(N)N
InChIInChI=1S/C4H11N3/c1-3(2)7-4(5)6/h3H,1-2H3,(H4,5,6,7)/p+1
InChIKeyUZEKTDVGUQCDBI-UHFFFAOYSA-O
XLogP-2.25
TPSA66.01 Ų
H-Bond Donors3
H-Bond Acceptors
Rotatable Bonds1
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(propan-2-yl)azanium?
The IUPAC name of diaminomethylidene(propan-2-yl)azanium (CID 21364731) is diaminomethylidene(propan-2-yl)azanium.
What is the SMILES notation for diaminomethylidene(propan-2-yl)azanium?
The canonical SMILES for diaminomethylidene(propan-2-yl)azanium is CC(C)[NH+]=C(N)N.
What is the InChIKey of diaminomethylidene(propan-2-yl)azanium?
The InChIKey is UZEKTDVGUQCDBI-UHFFFAOYSA-O. The full InChI is InChI=1S/C4H11N3/c1-3(2)7-4(5)6/h3H,1-2H3,(H4,5,6,7)/p+1.
What are the key properties of diaminomethylidene(propan-2-yl)azanium?
diaminomethylidene(propan-2-yl)azanium has a molecular weight of 102.16 g/mol, XLogP of -2.25, 1 rotatable bonds, 3 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for diaminomethylidene(propan-2-yl)azanium is sourced from PubChem (CID 21364731), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).