sodium 3-methanidylpentane

C6H13Na — CID 154114323

IUPACsodium 3-methanidylpentane
SMILES[CH2-]C(CC)CC.[Na+]
InChIInChI=1S/C6H13.Na/c1-4-6(3)5-2;/h6H,3-5H2,1-2H3;/q-1;+1
InChIKeyBIDNKKGMPLKPTD-UHFFFAOYSA-N
MW108.16 g/mol
LogP-0.74
Rot. Bonds2

About sodium 3-methanidylpentane

sodium 3-methanidylpentane (PubChem CID 154114323) has the molecular formula C6H13Na and a molecular weight of 108.16 g/mol. Its IUPAC name is sodium 3-methanidylpentane.

Molecular Properties

Compound Namesodium 3-methanidylpentane
PubChem CID154114323
Molecular FormulaC6H13Na
Molecular Weight108.16 g/mol
Exact Mass108.09
IUPAC Namesodium 3-methanidylpentane
SMILES[CH2-]C(CC)CC.[Na+]
InChIInChI=1S/C6H13.Na/c1-4-6(3)5-2;/h6H,3-5H2,1-2H3;/q-1;+1
InChIKeyBIDNKKGMPLKPTD-UHFFFAOYSA-N
XLogP-0.74
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds2
Heavy Atoms7
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500108.16
LogP ≤ 5-0.74
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

bis(3-methanidylpentane);tungsten(2+)
CID 58814797
bis(2-methanidylbutane);tungsten;tungsten(2+)
CID 157130692
2-methanidylbutane;rutherfordium
CID 58583664
magnesium;(2S)-2-methanidylbutane;bromide
CID 10921031
cobalt;3-methanidylheptane
CID 154097431
2-methanidylpropane;propane;tungsten(2+)
CID 59881862
3-methanidylheptane;zinc;hydrobromide
CID 90200578
2-methylbutane
CID 158117812
2-methylbutane
CID 159175971
ethane;2-methanidylpropane;tungsten(2+)
CID 20607309
sodium;2-methanidylpropane;hydroxide
CID 58205934
butan-2-ol
CID 123926829

Frequently Asked Questions

What is the IUPAC name of sodium 3-methanidylpentane?
The IUPAC name of sodium 3-methanidylpentane (CID 154114323) is sodium 3-methanidylpentane.
What is the SMILES notation for sodium 3-methanidylpentane?
The canonical SMILES for sodium 3-methanidylpentane is [CH2-]C(CC)CC.[Na+].
What is the InChIKey of sodium 3-methanidylpentane?
The InChIKey is BIDNKKGMPLKPTD-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H13.Na/c1-4-6(3)5-2;/h6H,3-5H2,1-2H3;/q-1;+1.
What are the key properties of sodium 3-methanidylpentane?
sodium 3-methanidylpentane has a molecular weight of 108.16 g/mol, XLogP of -0.74, 2 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for sodium 3-methanidylpentane is sourced from PubChem (CID 154114323), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).