diaminomethylidene(propan-2-yl)azanium chloride

C4H12ClN3 — CID 135086511

IUPACdiaminomethylidene(propan-2-yl)azanium chloride
SMILESCC(C)[NH+]=C(N)N.[Cl-]
InChIInChI=1S/C4H11N3.ClH/c1-3(2)7-4(5)6;/h3H,1-2H3,(H4,5,6,7);1H
InChIKeyUHWHYRJXUNAUJR-UHFFFAOYSA-N
MW137.61 g/mol
LogP-5.25
Rot. Bonds1

About diaminomethylidene(propan-2-yl)azanium chloride

diaminomethylidene(propan-2-yl)azanium chloride (PubChem CID 135086511) has the molecular formula C4H12ClN3 and a molecular weight of 137.61 g/mol. Its IUPAC name is diaminomethylidene(propan-2-yl)azanium chloride.

Molecular Properties

Compound Namediaminomethylidene(propan-2-yl)azanium chloride
PubChem CID135086511
Molecular FormulaC4H12ClN3
Molecular Weight137.61 g/mol
Exact Mass137.07
IUPAC Namediaminomethylidene(propan-2-yl)azanium chloride
SMILESCC(C)[NH+]=C(N)N.[Cl-]
InChIInChI=1S/C4H11N3.ClH/c1-3(2)7-4(5)6;/h3H,1-2H3,(H4,5,6,7);1H
InChIKeyUHWHYRJXUNAUJR-UHFFFAOYSA-N
XLogP-5.25
TPSA66.01 Ų
H-Bond Donors3
H-Bond Acceptors
Rotatable Bonds1
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500137.61
LogP ≤ 5-5.25
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 chloride?
The IUPAC name of diaminomethylidene(propan-2-yl)azanium chloride (CID 135086511) is diaminomethylidene(propan-2-yl)azanium chloride.
What is the SMILES notation for diaminomethylidene(propan-2-yl)azanium chloride?
The canonical SMILES for diaminomethylidene(propan-2-yl)azanium chloride is CC(C)[NH+]=C(N)N.[Cl-].
What is the InChIKey of diaminomethylidene(propan-2-yl)azanium chloride?
The InChIKey is UHWHYRJXUNAUJR-UHFFFAOYSA-N. The full InChI is InChI=1S/C4H11N3.ClH/c1-3(2)7-4(5)6;/h3H,1-2H3,(H4,5,6,7);1H.
What are the key properties of diaminomethylidene(propan-2-yl)azanium chloride?
diaminomethylidene(propan-2-yl)azanium chloride has a molecular weight of 137.61 g/mol, XLogP of -5.25, 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 chloride is sourced from PubChem (CID 135086511), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).