2-methanidylpropane

C4H9- — CID 6432624

IUPAC2-methanidylpropane
SMILES[CH2-]C(C)C
InChIInChI=1S/C4H9/c1-4(2)3/h4H,1H2,2-3H3/q-1
InChIKeyRFONJRMUUALMBA-UHFFFAOYSA-N
MW57.12 g/mol
LogP1.48
Rot. Bonds

About 2-methanidylpropane

2-methanidylpropane (PubChem CID 6432624) has the molecular formula C4H9- and a molecular weight of 57.12 g/mol. Its IUPAC name is 2-methanidylpropane.

Molecular Properties

Compound Name2-methanidylpropane
PubChem CID6432624
Molecular FormulaC4H9-
Molecular Weight57.12 g/mol
Exact Mass57.07
IUPAC Name2-methanidylpropane
SMILES[CH2-]C(C)C
InChIInChI=1S/C4H9/c1-4(2)3/h4H,1H2,2-3H3/q-1
InChIKeyRFONJRMUUALMBA-UHFFFAOYSA-N
XLogP1.48
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds
Heavy Atoms4
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 50057.12
LogP ≤ 51.48
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

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 2-methanidylpropane?
The IUPAC name of 2-methanidylpropane (CID 6432624) is 2-methanidylpropane.
What is the SMILES notation for 2-methanidylpropane?
The canonical SMILES for 2-methanidylpropane is [CH2-]C(C)C.
What is the InChIKey of 2-methanidylpropane?
The InChIKey is RFONJRMUUALMBA-UHFFFAOYSA-N. The full InChI is InChI=1S/C4H9/c1-4(2)3/h4H,1H2,2-3H3/q-1.
What are the key properties of 2-methanidylpropane?
2-methanidylpropane has a molecular weight of 57.12 g/mol, XLogP of 1.48, 0 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methanidylpropane is sourced from PubChem (CID 6432624), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).