sodium N-(carboxymethyl)decanimidate

C12H22NNaO3 — CID 100915282

IUPACsodium N-(carboxymethyl)decanimidate
SMILESCCCCCCCCC/C([O-])=N/CC(=O)O.[Na+]
InChIInChI=1S/C12H23NO3.Na/c1-2-3-4-5-6-7-8-9-11(14)13-10-12(15)16;/h2-10H2,1H3,(H,13,14)(H,15,16);/q;+1/p-1
InChIKeyPPGDKNYZDLSHTJ-UHFFFAOYSA-M
MW251.30 g/mol
LogP-1.03
Rot. Bonds10

About sodium N-(carboxymethyl)decanimidate

sodium N-(carboxymethyl)decanimidate (PubChem CID 100915282) has the molecular formula C12H22NNaO3 and a molecular weight of 251.30 g/mol. Its IUPAC name is sodium N-(carboxymethyl)decanimidate.

Molecular Properties

Compound Namesodium N-(carboxymethyl)decanimidate
PubChem CID100915282
Molecular FormulaC12H22NNaO3
Molecular Weight251.30 g/mol
Exact Mass251.15
IUPAC Namesodium N-(carboxymethyl)decanimidate
SMILESCCCCCCCCC/C([O-])=N/CC(=O)O.[Na+]
InChIInChI=1S/C12H23NO3.Na/c1-2-3-4-5-6-7-8-9-11(14)13-10-12(15)16;/h2-10H2,1H3,(H,13,14)(H,15,16);/q;+1/p-1
InChIKeyPPGDKNYZDLSHTJ-UHFFFAOYSA-M
XLogP-1.03
TPSA72.72 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds10
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500251.30
LogP ≤ 5-1.03
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'imine_2', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of sodium N-(carboxymethyl)decanimidate?
The IUPAC name of sodium N-(carboxymethyl)decanimidate (CID 100915282) is sodium N-(carboxymethyl)decanimidate.
What is the SMILES notation for sodium N-(carboxymethyl)decanimidate?
The canonical SMILES for sodium N-(carboxymethyl)decanimidate is CCCCCCCCC/C([O-])=N/CC(=O)O.[Na+].
What is the InChIKey of sodium N-(carboxymethyl)decanimidate?
The InChIKey is PPGDKNYZDLSHTJ-UHFFFAOYSA-M. The full InChI is InChI=1S/C12H23NO3.Na/c1-2-3-4-5-6-7-8-9-11(14)13-10-12(15)16;/h2-10H2,1H3,(H,13,14)(H,15,16);/q;+1/p-1.
What are the key properties of sodium N-(carboxymethyl)decanimidate?
sodium N-(carboxymethyl)decanimidate has a molecular weight of 251.30 g/mol, XLogP of -1.03, 10 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for sodium N-(carboxymethyl)decanimidate is sourced from PubChem (CID 100915282), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).