diamino tetradecanedioate

C14H28N2O4 — CID 174564109

IUPACdiamino tetradecanedioate
SMILESNOC(=O)CCCCCCCCCCCCC(=O)ON
InChIInChI=1S/C14H28N2O4/c15-19-13(17)11-9-7-5-3-1-2-4-6-8-10-12-14(18)20-16/h1-12,15-16H2
InChIKeyNJQSUUXZBWSTEC-UHFFFAOYSA-N
MW288.39 g/mol
LogP2.50
Rot. Bonds13

About diamino tetradecanedioate

diamino tetradecanedioate (PubChem CID 174564109) has the molecular formula C14H28N2O4 and a molecular weight of 288.39 g/mol. Its IUPAC name is diamino tetradecanedioate.

Molecular Properties

Compound Namediamino tetradecanedioate
PubChem CID174564109
Molecular FormulaC14H28N2O4
Molecular Weight288.39 g/mol
Exact Mass288.20
IUPAC Namediamino tetradecanedioate
SMILESNOC(=O)CCCCCCCCCCCCC(=O)ON
InChIInChI=1S/C14H28N2O4/c15-19-13(17)11-9-7-5-3-1-2-4-6-8-10-12-14(18)20-16/h1-12,15-16H2
InChIKeyNJQSUUXZBWSTEC-UHFFFAOYSA-N
XLogP2.50
TPSA104.64 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds13
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.39
LogP ≤ 52.50
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

sodium;diamino heptanedioate;hydride
CID 174435177
cyclohexane;diamino decanedioate
CID 70626371
amino 8-aminooctanoate
CID 87659694
amino 5-aminopentanoate
CID 22929227
amino 12-oxododecanoate
CID 57157171
amino 7,7-dimethyloctanoate
CID 156697995
7-O-amino 1-O-tert-butyl heptanedioate
CID 87227654
amino 6-methylheptanoate
CID 54422100
amino 4-phosphorosobutanoate
CID 87689252
amino 7-hydroxytetradecanoate
CID 57067811
amino 9-oxo-9-phenylnonanoate
CID 174840256
amino 5-methylhexanoate
CID 18970778

Frequently Asked Questions

What is the IUPAC name of diamino tetradecanedioate?
The IUPAC name of diamino tetradecanedioate (CID 174564109) is diamino tetradecanedioate.
What is the SMILES notation for diamino tetradecanedioate?
The canonical SMILES for diamino tetradecanedioate is NOC(=O)CCCCCCCCCCCCC(=O)ON.
What is the InChIKey of diamino tetradecanedioate?
The InChIKey is NJQSUUXZBWSTEC-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H28N2O4/c15-19-13(17)11-9-7-5-3-1-2-4-6-8-10-12-14(18)20-16/h1-12,15-16H2.
What are the key properties of diamino tetradecanedioate?
diamino tetradecanedioate has a molecular weight of 288.39 g/mol, XLogP of 2.50, 13 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for diamino tetradecanedioate is sourced from PubChem (CID 174564109), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).