furan-2,5-dione;hexadecan-1-amine

C20H37NO3 — CID 118418755

IUPACfuran-2,5-dione;hexadecan-1-amine
SMILESCCCCCCCCCCCCCCCCN.O=C1C=CC(=O)O1
InChIInChI=1S/C16H35N.C4H2O3/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17;5-3-1-2-4(6)7-3/h2-17H2,1H3;1-2H
InChIKeyBMXQKTVCBQAFDV-UHFFFAOYSA-N
MW339.52 g/mol
LogP5.05
Rot. Bonds14

About furan-2,5-dione;hexadecan-1-amine

furan-2,5-dione;hexadecan-1-amine (PubChem CID 118418755) has the molecular formula C20H37NO3 and a molecular weight of 339.52 g/mol. Its IUPAC name is furan-2,5-dione;hexadecan-1-amine.

Molecular Properties

Compound Namefuran-2,5-dione;hexadecan-1-amine
PubChem CID118418755
Molecular FormulaC20H37NO3
Molecular Weight339.52 g/mol
Exact Mass339.28
IUPAC Namefuran-2,5-dione;hexadecan-1-amine
SMILESCCCCCCCCCCCCCCCCN.O=C1C=CC(=O)O1
InChIInChI=1S/C16H35N.C4H2O3/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17;5-3-1-2-4(6)7-3/h2-17H2,1H3;1-2H
InChIKeyBMXQKTVCBQAFDV-UHFFFAOYSA-N
XLogP5.05
TPSA69.39 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds14
Heavy Atoms24
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500339.52
LogP ≤ 55.05
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'beta-keto/anhydride', 'substructure': 'N/A'}

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Related Compounds

ethane-1,2-diol;furan-2,5-dione;octadecan-1-amine
CID 174655132
nonan-1-amine;dihydrate
CID 174770026
octadecan-1-amine;hydrate
CID 158026408
hexan-1-amine;dihydrate
CID 174459608
furan-2,5-dione;hexadec-1-ene
CID 87102971
tridecan-1-amine;undecan-1-amine
CID 23045943
butane-1,4-diamine;hexan-1-amine
CID 162097736
decan-1-amine;hexan-1-amine
CID 162216125
hexacosan-1-amine
CID 14550481
dotetracontan-1-amine
CID 14550497
ethane-1,2-diamine;furan-2,5-dione;tris(octadec-9-enoic acid);propane
CID 161292256
dibutyltin;furan-2,5-dione
CID 161399584

Frequently Asked Questions

What is the IUPAC name of furan-2,5-dione;hexadecan-1-amine?
The IUPAC name of furan-2,5-dione;hexadecan-1-amine (CID 118418755) is furan-2,5-dione;hexadecan-1-amine.
What is the SMILES notation for furan-2,5-dione;hexadecan-1-amine?
The canonical SMILES for furan-2,5-dione;hexadecan-1-amine is CCCCCCCCCCCCCCCCN.O=C1C=CC(=O)O1.
What is the InChIKey of furan-2,5-dione;hexadecan-1-amine?
The InChIKey is BMXQKTVCBQAFDV-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H35N.C4H2O3/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17;5-3-1-2-4(6)7-3/h2-17H2,1H3;1-2H.
What are the key properties of furan-2,5-dione;hexadecan-1-amine?
furan-2,5-dione;hexadecan-1-amine has a molecular weight of 339.52 g/mol, XLogP of 5.05, 14 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for furan-2,5-dione;hexadecan-1-amine is sourced from PubChem (CID 118418755), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).