sodium N-(carboxymethyl)dodecanimidate

C14H26NNaO3 — CID 102065033

IUPACsodium N-(carboxymethyl)dodecanimidate
SMILESCCCCCCCCCCC/C([O-])=N/CC(=O)O.[Na+]
InChIInChI=1S/C14H27NO3.Na/c1-2-3-4-5-6-7-8-9-10-11-13(16)15-12-14(17)18;/h2-12H2,1H3,(H,15,16)(H,17,18);/q;+1/p-1
InChIKeyIKGKWKGYFJBGQJ-UHFFFAOYSA-M
MW279.36 g/mol
LogP-0.25
Rot. Bonds12

About sodium N-(carboxymethyl)dodecanimidate

sodium N-(carboxymethyl)dodecanimidate (PubChem CID 102065033) has the molecular formula C14H26NNaO3 and a molecular weight of 279.36 g/mol. Its IUPAC name is sodium N-(carboxymethyl)dodecanimidate.

Molecular Properties

Compound Namesodium N-(carboxymethyl)dodecanimidate
PubChem CID102065033
Molecular FormulaC14H26NNaO3
Molecular Weight279.36 g/mol
Exact Mass279.18
IUPAC Namesodium N-(carboxymethyl)dodecanimidate
SMILESCCCCCCCCCCC/C([O-])=N/CC(=O)O.[Na+]
InChIInChI=1S/C14H27NO3.Na/c1-2-3-4-5-6-7-8-9-10-11-13(16)15-12-14(17)18;/h2-12H2,1H3,(H,15,16)(H,17,18);/q;+1/p-1
InChIKeyIKGKWKGYFJBGQJ-UHFFFAOYSA-M
XLogP-0.25
TPSA72.72 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds12
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500279.36
LogP ≤ 5-0.25
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)dodecanimidate?
The IUPAC name of sodium N-(carboxymethyl)dodecanimidate (CID 102065033) is sodium N-(carboxymethyl)dodecanimidate.
What is the SMILES notation for sodium N-(carboxymethyl)dodecanimidate?
The canonical SMILES for sodium N-(carboxymethyl)dodecanimidate is CCCCCCCCCCC/C([O-])=N/CC(=O)O.[Na+].
What is the InChIKey of sodium N-(carboxymethyl)dodecanimidate?
The InChIKey is IKGKWKGYFJBGQJ-UHFFFAOYSA-M. The full InChI is InChI=1S/C14H27NO3.Na/c1-2-3-4-5-6-7-8-9-10-11-13(16)15-12-14(17)18;/h2-12H2,1H3,(H,15,16)(H,17,18);/q;+1/p-1.
What are the key properties of sodium N-(carboxymethyl)dodecanimidate?
sodium N-(carboxymethyl)dodecanimidate has a molecular weight of 279.36 g/mol, XLogP of -0.25, 12 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for sodium N-(carboxymethyl)dodecanimidate is sourced from PubChem (CID 102065033), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).