2-ethyl-2-[(5-iodofuran-2-yl)methylamino]propane-1,3-diol

C10H16INO3 — CID 107864899

IUPAC2-ethyl-2-[(5-iodofuran-2-yl)methylamino]propane-1,3-diol
SMILESCCC(CO)(CO)NCc1ccc(I)o1
InChIInChI=1S/C10H16INO3/c1-2-10(6-13,7-14)12-5-8-3-4-9(11)15-8/h3-4,12-14H,2,5-7H2,1H3
InChIKeyXEBZYDOHBSDWKB-UHFFFAOYSA-N
MW325.15 g/mol
LogP1.11
Rot. Bonds6

About 2-ethyl-2-[(5-iodofuran-2-yl)methylamino]propane-1,3-diol

2-ethyl-2-[(5-iodofuran-2-yl)methylamino]propane-1,3-diol (PubChem CID 107864899) has the molecular formula C10H16INO3 and a molecular weight of 325.15 g/mol. Its IUPAC name is 2-ethyl-2-[(5-iodofuran-2-yl)methylamino]propane-1,3-diol.

Molecular Properties

Compound Name2-ethyl-2-[(5-iodofuran-2-yl)methylamino]propane-1,3-diol
PubChem CID107864899
Molecular FormulaC10H16INO3
Molecular Weight325.15 g/mol
Exact Mass325.02
IUPAC Name2-ethyl-2-[(5-iodofuran-2-yl)methylamino]propane-1,3-diol
SMILESCCC(CO)(CO)NCc1ccc(I)o1
InChIInChI=1S/C10H16INO3/c1-2-10(6-13,7-14)12-5-8-3-4-9(11)15-8/h3-4,12-14H,2,5-7H2,1H3
InChIKeyXEBZYDOHBSDWKB-UHFFFAOYSA-N
XLogP1.11
TPSA65.63 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500325.15
LogP ≤ 51.11
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

2-ethyl-2-[[5-(methylsulfanylmethyl)furan-2-yl]methylamino]propane-1,3-diol
CID 113344550
2-[(5-chlorofuran-2-yl)methylamino]-2-ethylbutan-1-ol
CID 62517681
2-ethyl-2-[(5-nitrofuran-2-yl)methylamino]propane-1,3-diol
CID 103880632
5-[[[1-hydroxy-2-(hydroxymethyl)butan-2-yl]amino]methyl]furan-2-sulfonamide
CID 107865049
3-[(5-iodofuran-2-yl)methylamino]-2-methylpropane-1,2-diol
CID 66169874
2-(1-benzofuran-2-ylmethylamino)-2-ethylbutan-1-ol
CID 55081813
2-ethyl-2-[(5-ethylthiophen-2-yl)methylamino]propane-1,3-diol
CID 103880567
5-[[[1,3-dihydroxy-2-(hydroxymethyl)propan-2-yl]amino]methyl]-N-methylfuran-2-sulfonamide
CID 107850325
2-ethyl-2-[(2-ethylpyrazol-3-yl)methylamino]butan-1-ol
CID 115762417
2-[[4-(dimethylamino)phenyl]methylamino]-2-ethylpropane-1,3-diol
CID 113344548
2-methyl-2-[[5-(methylsulfanylmethyl)furan-2-yl]methylamino]butan-1-ol
CID 64550167
N-[(5-iodofuran-2-yl)methyl]hexan-3-amine
CID 62118557

Frequently Asked Questions

What is the IUPAC name of 2-ethyl-2-[(5-iodofuran-2-yl)methylamino]propane-1,3-diol?
The IUPAC name of 2-ethyl-2-[(5-iodofuran-2-yl)methylamino]propane-1,3-diol (CID 107864899) is 2-ethyl-2-[(5-iodofuran-2-yl)methylamino]propane-1,3-diol.
What is the SMILES notation for 2-ethyl-2-[(5-iodofuran-2-yl)methylamino]propane-1,3-diol?
The canonical SMILES for 2-ethyl-2-[(5-iodofuran-2-yl)methylamino]propane-1,3-diol is CCC(CO)(CO)NCc1ccc(I)o1.
What is the InChIKey of 2-ethyl-2-[(5-iodofuran-2-yl)methylamino]propane-1,3-diol?
The InChIKey is XEBZYDOHBSDWKB-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H16INO3/c1-2-10(6-13,7-14)12-5-8-3-4-9(11)15-8/h3-4,12-14H,2,5-7H2,1H3.
What are the key properties of 2-ethyl-2-[(5-iodofuran-2-yl)methylamino]propane-1,3-diol?
2-ethyl-2-[(5-iodofuran-2-yl)methylamino]propane-1,3-diol has a molecular weight of 325.15 g/mol, XLogP of 1.11, 6 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-ethyl-2-[(5-iodofuran-2-yl)methylamino]propane-1,3-diol is sourced from PubChem (CID 107864899), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).