sodium 2-methanidylpropane

C4H9Na — CID 18764428

IUPACsodium 2-methanidylpropane
SMILES[CH2-]C(C)C.[Na+]
InChIInChI=1S/C4H9.Na/c1-4(2)3;/h4H,1H2,2-3H3;/q-1;+1
InChIKeyWSOUKJQSABOGAZ-UHFFFAOYSA-N
MW80.11 g/mol
LogP-1.52
Rot. Bonds

About sodium 2-methanidylpropane

sodium 2-methanidylpropane (PubChem CID 18764428) has the molecular formula C4H9Na and a molecular weight of 80.11 g/mol. Its IUPAC name is sodium 2-methanidylpropane.

Molecular Properties

Compound Namesodium 2-methanidylpropane
PubChem CID18764428
Molecular FormulaC4H9Na
Molecular Weight80.11 g/mol
Exact Mass80.06
IUPAC Namesodium 2-methanidylpropane
SMILES[CH2-]C(C)C.[Na+]
InChIInChI=1S/C4H9.Na/c1-4(2)3;/h4H,1H2,2-3H3;/q-1;+1
InChIKeyWSOUKJQSABOGAZ-UHFFFAOYSA-N
XLogP-1.52
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds
Heavy Atoms5
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 50080.11
LogP ≤ 5-1.52
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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Related Compounds

Isobutane
CID 6360
1,1,1,2,3,3,3-Heptadeuterio-2-(trideuteriomethyl)propane
CID 10558567
Isobutyl radical
CID 138305
Sodium 2-methylpropan-2-ide
CID 21966818
Isobutane-d1
CID 12205551
2-Methylpropane-2-d
CID 139408
2-Methanidylpropane
CID 6432624
1,1,1,3,3,3-Hexadeuterio-2-(trideuteriomethyl)propane
CID 10606692
CID 59877186
CID 59877186
Propane-1,1,1,3,3,3-d6, 2-methyl-
CID 144653
Propane-2-d, 2-methyl-
CID 518729
2-Methanidylpropane
CID 164667187

Frequently Asked Questions

What is the IUPAC name of sodium 2-methanidylpropane?
The IUPAC name of sodium 2-methanidylpropane (CID 18764428) is sodium 2-methanidylpropane.
What is the SMILES notation for sodium 2-methanidylpropane?
The canonical SMILES for sodium 2-methanidylpropane is [CH2-]C(C)C.[Na+].
What is the InChIKey of sodium 2-methanidylpropane?
The InChIKey is WSOUKJQSABOGAZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C4H9.Na/c1-4(2)3;/h4H,1H2,2-3H3;/q-1;+1.
What are the key properties of sodium 2-methanidylpropane?
sodium 2-methanidylpropane has a molecular weight of 80.11 g/mol, XLogP of -1.52, 0 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for sodium 2-methanidylpropane is sourced from PubChem (CID 18764428), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).