methanidyl(propan-2-ylcarbamoyl)azanium

C5H12N2O — CID 123971316

IUPACmethanidyl(propan-2-ylcarbamoyl)azanium
SMILES[CH2-][NH2+]C(=O)NC(C)C
InChIInChI=1S/C5H12N2O/c1-4(2)7-5(8)6-3/h4H,3,6H2,1-2H3,(H,7,8)
InChIKeyWIEDNARYKZCZBD-UHFFFAOYSA-N
MW116.16 g/mol
LogP-0.54
Rot. Bonds1

About methanidyl(propan-2-ylcarbamoyl)azanium

methanidyl(propan-2-ylcarbamoyl)azanium (PubChem CID 123971316) has the molecular formula C5H12N2O and a molecular weight of 116.16 g/mol. Its IUPAC name is methanidyl(propan-2-ylcarbamoyl)azanium.

Molecular Properties

Compound Namemethanidyl(propan-2-ylcarbamoyl)azanium
PubChem CID123971316
Molecular FormulaC5H12N2O
Molecular Weight116.16 g/mol
Exact Mass116.09
IUPAC Namemethanidyl(propan-2-ylcarbamoyl)azanium
SMILES[CH2-][NH2+]C(=O)NC(C)C
InChIInChI=1S/C5H12N2O/c1-4(2)7-5(8)6-3/h4H,3,6H2,1-2H3,(H,7,8)
InChIKeyWIEDNARYKZCZBD-UHFFFAOYSA-N
XLogP-0.54
TPSA45.71 Ų
H-Bond Donors2
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500116.16
LogP ≤ 5-0.54
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Carbo_cation/anion', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of methanidyl(propan-2-ylcarbamoyl)azanium?
The IUPAC name of methanidyl(propan-2-ylcarbamoyl)azanium (CID 123971316) is methanidyl(propan-2-ylcarbamoyl)azanium.
What is the SMILES notation for methanidyl(propan-2-ylcarbamoyl)azanium?
The canonical SMILES for methanidyl(propan-2-ylcarbamoyl)azanium is [CH2-][NH2+]C(=O)NC(C)C.
What is the InChIKey of methanidyl(propan-2-ylcarbamoyl)azanium?
The InChIKey is WIEDNARYKZCZBD-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H12N2O/c1-4(2)7-5(8)6-3/h4H,3,6H2,1-2H3,(H,7,8).
What are the key properties of methanidyl(propan-2-ylcarbamoyl)azanium?
methanidyl(propan-2-ylcarbamoyl)azanium has a molecular weight of 116.16 g/mol, XLogP of -0.54, 1 rotatable bonds, 2 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for methanidyl(propan-2-ylcarbamoyl)azanium is sourced from PubChem (CID 123971316), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).