butanedioic acid;bis(dodec-1-en-1-amine)

C28H56N2O4 — CID 175746189

IUPACbutanedioic acid;bis(dodec-1-en-1-amine)
SMILESCCCCCCCCCCC=CN.CCCCCCCCCCC=CN.O=C(O)CCC(=O)O
InChIInChI=1S/2C12H25N.C4H6O4/c2*1-2-3-4-5-6-7-8-9-10-11-12-13;5-3(6)1-2-4(7)8/h2*11-12H,2-10,13H2,1H3;1-2H2,(H,5,6)(H,7,8)
InChIKeyFQOONUWHCQJWPM-UHFFFAOYSA-N
MW484.77 g/mol
LogP7.91
Rot. Bonds21

About butanedioic acid;bis(dodec-1-en-1-amine)

butanedioic acid;bis(dodec-1-en-1-amine) (PubChem CID 175746189) has the molecular formula C28H56N2O4 and a molecular weight of 484.77 g/mol. Its IUPAC name is butanedioic acid;bis(dodec-1-en-1-amine).

Molecular Properties

Compound Namebutanedioic acid;bis(dodec-1-en-1-amine)
PubChem CID175746189
Molecular FormulaC28H56N2O4
Molecular Weight484.77 g/mol
Exact Mass484.42
IUPAC Namebutanedioic acid;bis(dodec-1-en-1-amine)
SMILESCCCCCCCCCCC=CN.CCCCCCCCCCC=CN.O=C(O)CCC(=O)O
InChIInChI=1S/2C12H25N.C4H6O4/c2*1-2-3-4-5-6-7-8-9-10-11-12-13;5-3(6)1-2-4(7)8/h2*11-12H,2-10,13H2,1H3;1-2H2,(H,5,6)(H,7,8)
InChIKeyFQOONUWHCQJWPM-UHFFFAOYSA-N
XLogP7.91
TPSA126.64 Ų
H-Bond Donors4
H-Bond Acceptors4
Rotatable Bonds21
Heavy Atoms34
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500484.77
LogP ≤ 57.91
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

(E)-dec-1-en-1-amine
CID 21420709
butanedioic acid;dec-2-en-1-amine
CID 175176205
tetradec-8-enoic acid
CID 54338786
docos-14-enoic acid
CID 54090186
triacont-6-enoic acid
CID 169276816
(E)-hexadec-8-enoic acid
CID 6430788
(Z)-hexadec-9-enoic acid;octadecanoic acid;(Z)-octadec-9-enoic acid
CID 157299242
octadecane;octadec-9-enoic acid
CID 158603673
decanoic acid;octadec-9-enoic acid
CID 173212255
(Z)-pentadec-6-enoic acid
CID 13128939
(Z)-(1613C)hexadec-9-enoic acid
CID 171379046
heptadec-4-enoic acid
CID 56621766

Frequently Asked Questions

What is the IUPAC name of butanedioic acid;bis(dodec-1-en-1-amine)?
The IUPAC name of butanedioic acid;bis(dodec-1-en-1-amine) (CID 175746189) is butanedioic acid;bis(dodec-1-en-1-amine).
What is the SMILES notation for butanedioic acid;bis(dodec-1-en-1-amine)?
The canonical SMILES for butanedioic acid;bis(dodec-1-en-1-amine) is CCCCCCCCCCC=CN.CCCCCCCCCCC=CN.O=C(O)CCC(=O)O.
What is the InChIKey of butanedioic acid;bis(dodec-1-en-1-amine)?
The InChIKey is FQOONUWHCQJWPM-UHFFFAOYSA-N. The full InChI is InChI=1S/2C12H25N.C4H6O4/c2*1-2-3-4-5-6-7-8-9-10-11-12-13;5-3(6)1-2-4(7)8/h2*11-12H,2-10,13H2,1H3;1-2H2,(H,5,6)(H,7,8).
What are the key properties of butanedioic acid;bis(dodec-1-en-1-amine)?
butanedioic acid;bis(dodec-1-en-1-amine) has a molecular weight of 484.77 g/mol, XLogP of 7.91, 21 rotatable bonds, 4 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for butanedioic acid;bis(dodec-1-en-1-amine) is sourced from PubChem (CID 175746189), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).