[amino-(diaminomethylideneamino)methylidene]-propan-2-ylazanium

C5H14N5+ — CID 140927129

IUPAC[amino-(diaminomethylideneamino)methylidene]-propan-2-ylazanium
SMILESCC(C)/[NH+]=C(\N)N=C(N)N
InChIInChI=1S/C5H13N5/c1-3(2)9-5(8)10-4(6)7/h3H,1-2H3,(H6,6,7,8,9,10)/p+1
InChIKeyUBBHRFLEDZWRNR-UHFFFAOYSA-O
MW144.20 g/mol
LogP-2.94
Rot. Bonds1

About [amino-(diaminomethylideneamino)methylidene]-propan-2-ylazanium

[amino-(diaminomethylideneamino)methylidene]-propan-2-ylazanium (PubChem CID 140927129) has the molecular formula C5H14N5+ and a molecular weight of 144.20 g/mol. Its IUPAC name is [amino-(diaminomethylideneamino)methylidene]-propan-2-ylazanium.

Molecular Properties

Compound Name[amino-(diaminomethylideneamino)methylidene]-propan-2-ylazanium
PubChem CID140927129
Molecular FormulaC5H14N5+
Molecular Weight144.20 g/mol
Exact Mass144.12
IUPAC Name[amino-(diaminomethylideneamino)methylidene]-propan-2-ylazanium
SMILESCC(C)/[NH+]=C(\N)N=C(N)N
InChIInChI=1S/C5H13N5/c1-3(2)9-5(8)10-4(6)7/h3H,1-2H3,(H6,6,7,8,9,10)/p+1
InChIKeyUBBHRFLEDZWRNR-UHFFFAOYSA-O
XLogP-2.94
TPSA104.39 Ų
H-Bond Donors4
H-Bond Acceptors
Rotatable Bonds1
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500144.20
LogP ≤ 5-2.94
H-Bond Donors ≤ 54
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 [amino-(diaminomethylideneamino)methylidene]-propan-2-ylazanium?
The IUPAC name of [amino-(diaminomethylideneamino)methylidene]-propan-2-ylazanium (CID 140927129) is [amino-(diaminomethylideneamino)methylidene]-propan-2-ylazanium.
What is the SMILES notation for [amino-(diaminomethylideneamino)methylidene]-propan-2-ylazanium?
The canonical SMILES for [amino-(diaminomethylideneamino)methylidene]-propan-2-ylazanium is CC(C)/[NH+]=C(\N)N=C(N)N.
What is the InChIKey of [amino-(diaminomethylideneamino)methylidene]-propan-2-ylazanium?
The InChIKey is UBBHRFLEDZWRNR-UHFFFAOYSA-O. The full InChI is InChI=1S/C5H13N5/c1-3(2)9-5(8)10-4(6)7/h3H,1-2H3,(H6,6,7,8,9,10)/p+1.
What are the key properties of [amino-(diaminomethylideneamino)methylidene]-propan-2-ylazanium?
[amino-(diaminomethylideneamino)methylidene]-propan-2-ylazanium has a molecular weight of 144.20 g/mol, XLogP of -2.94, 1 rotatable bonds, 4 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for [amino-(diaminomethylideneamino)methylidene]-propan-2-ylazanium is sourced from PubChem (CID 140927129), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).