potassium N-(carboxymethyl)dodecanimidate

C14H26KNO3 — CID 101144216

IUPACpotassium N-(carboxymethyl)dodecanimidate
SMILESCCCCCCCCCCC/C([O-])=N/CC(=O)O.[K+]
InChIInChI=1S/C14H27NO3.K/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
InChIKeyWLPORNKIACJZBO-UHFFFAOYSA-M
MW295.46 g/mol
LogP-0.25
Rot. Bonds12

About potassium N-(carboxymethyl)dodecanimidate

potassium N-(carboxymethyl)dodecanimidate (PubChem CID 101144216) has the molecular formula C14H26KNO3 and a molecular weight of 295.46 g/mol. Its IUPAC name is potassium N-(carboxymethyl)dodecanimidate.

Molecular Properties

Compound Namepotassium N-(carboxymethyl)dodecanimidate
PubChem CID101144216
Molecular FormulaC14H26KNO3
Molecular Weight295.46 g/mol
Exact Mass295.15
IUPAC Namepotassium N-(carboxymethyl)dodecanimidate
SMILESCCCCCCCCCCC/C([O-])=N/CC(=O)O.[K+]
InChIInChI=1S/C14H27NO3.K/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
InChIKeyWLPORNKIACJZBO-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 ≤ 500295.46
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 potassium N-(carboxymethyl)dodecanimidate?
The IUPAC name of potassium N-(carboxymethyl)dodecanimidate (CID 101144216) is potassium N-(carboxymethyl)dodecanimidate.
What is the SMILES notation for potassium N-(carboxymethyl)dodecanimidate?
The canonical SMILES for potassium N-(carboxymethyl)dodecanimidate is CCCCCCCCCCC/C([O-])=N/CC(=O)O.[K+].
What is the InChIKey of potassium N-(carboxymethyl)dodecanimidate?
The InChIKey is WLPORNKIACJZBO-UHFFFAOYSA-M. The full InChI is InChI=1S/C14H27NO3.K/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 potassium N-(carboxymethyl)dodecanimidate?
potassium N-(carboxymethyl)dodecanimidate has a molecular weight of 295.46 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 potassium N-(carboxymethyl)dodecanimidate is sourced from PubChem (CID 101144216), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).