2-methanidylpropane

C4H8 — CID 164667187

IUPAC2-methanidylpropane
SMILES[CH2+]C([CH2-])C
InChIInChI=1S/C4H8/c1-4(2)3/h4H,1-2H2,3H3
InChIKeyZECCBNFTUUXNJZ-UHFFFAOYSA-N
MW56.11 g/mol
LogP1.29
Rot. Bonds

About 2-methanidylpropane

2-methanidylpropane (PubChem CID 164667187) has the molecular formula C4H8 and a molecular weight of 56.11 g/mol. Its IUPAC name is 2-methanidylpropane.

Molecular Properties

Compound Name2-methanidylpropane
PubChem CID164667187
Molecular FormulaC4H8
Molecular Weight56.11 g/mol
Exact Mass56.06
IUPAC Name2-methanidylpropane
SMILES[CH2+]C([CH2-])C
InChIInChI=1S/C4H8/c1-4(2)3/h4H,1-2H2,3H3
InChIKeyZECCBNFTUUXNJZ-UHFFFAOYSA-N
XLogP1.29
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds
Heavy Atoms4
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 50056.11
LogP ≤ 51.29
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 164667187) is 2-methanidylpropane.
What is the SMILES notation for 2-methanidylpropane?
The canonical SMILES for 2-methanidylpropane is [CH2+]C([CH2-])C.
What is the InChIKey of 2-methanidylpropane?
The InChIKey is ZECCBNFTUUXNJZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C4H8/c1-4(2)3/h4H,1-2H2,3H3.
What are the key properties of 2-methanidylpropane?
2-methanidylpropane has a molecular weight of 56.11 g/mol, XLogP of 1.29, 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 164667187), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).