2-amino-2-(hydroxymethyl)propane-1,3-diol;azane;1-iodoethanol

C6H19IN2O4 — CID 87720524

IUPAC2-amino-2-(hydroxymethyl)propane-1,3-diol;azane;1-iodoethanol
SMILESCC(O)I.N.NC(CO)(CO)CO
InChIInChI=1S/C4H11NO3.C2H5IO.H3N/c5-4(1-6,2-7)3-8;1-2(3)4;/h6-8H,1-3,5H2;2,4H,1H3;1H3
InChIKeyAEPZCOHHNLYEKX-UHFFFAOYSA-N
MW310.13 g/mol
LogP-1.42
Rot. Bonds3

About 2-amino-2-(hydroxymethyl)propane-1,3-diol;azane;1-iodoethanol

2-amino-2-(hydroxymethyl)propane-1,3-diol;azane;1-iodoethanol (PubChem CID 87720524) has the molecular formula C6H19IN2O4 and a molecular weight of 310.13 g/mol. Its IUPAC name is 2-amino-2-(hydroxymethyl)propane-1,3-diol;azane;1-iodoethanol.

Molecular Properties

Compound Name2-amino-2-(hydroxymethyl)propane-1,3-diol;azane;1-iodoethanol
PubChem CID87720524
Molecular FormulaC6H19IN2O4
Molecular Weight310.13 g/mol
Exact Mass310.04
IUPAC Name2-amino-2-(hydroxymethyl)propane-1,3-diol;azane;1-iodoethanol
SMILESCC(O)I.N.NC(CO)(CO)CO
InChIInChI=1S/C4H11NO3.C2H5IO.H3N/c5-4(1-6,2-7)3-8;1-2(3)4;/h6-8H,1-3,5H2;2,4H,1H3;1H3
InChIKeyAEPZCOHHNLYEKX-UHFFFAOYSA-N
XLogP-1.42
TPSA141.94 Ų
H-Bond Donors6
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500310.13
LogP ≤ 5-1.42
H-Bond Donors ≤ 56
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Related Compounds

CID 87493832
CID 87493832
2-amino-2-(hydroxymethyl)propane-1,3-diol;trihydrochloride
CID 19084655
lithium;2-amino-2-(hydroxymethyl)propane-1,3-diol;hydride
CID 173034607
2-amino-2-(hydroxymethyl)propane-1,3-diol;N,N-dimethylmethanamine;dihydrochloride
CID 175534832
2-amino-2-(hydroxymethyl)propane-1,3-diol;chloromethanol;methanamine
CID 88625079
2-amino-2-(hydroxymethyl)propane-1,3-diol;ethane-1,2-diamine
CID 22118202
2-amino-2-methylpropane-1,3-diol;propan-2-ol
CID 18519501
1-iodoethanol;propane-1,2,3-triol
CID 175431347
2-amino-2-(hydroxymethyl)propane-1,3-diol;ethylhydrazine
CID 88536885
2-amino-2-(hydroxymethyl)propane-1,3-diol;2,4,4-trimethylpentylalumane
CID 173268519
[2-amino-3-hydroxy-2-(hydroxymethyl)propyl] 2-methylpropanoate
CID 118105038
2-amino-2-(hydroxymethyl)propane-1,3-diol;(2R,3R,4R,5S)-6-(methylamino)hexane-1,2,3,4,5-pentol
CID 87714012

Frequently Asked Questions

What is the IUPAC name of 2-amino-2-(hydroxymethyl)propane-1,3-diol;azane;1-iodoethanol?
The IUPAC name of 2-amino-2-(hydroxymethyl)propane-1,3-diol;azane;1-iodoethanol (CID 87720524) is 2-amino-2-(hydroxymethyl)propane-1,3-diol;azane;1-iodoethanol.
What is the SMILES notation for 2-amino-2-(hydroxymethyl)propane-1,3-diol;azane;1-iodoethanol?
The canonical SMILES for 2-amino-2-(hydroxymethyl)propane-1,3-diol;azane;1-iodoethanol is CC(O)I.N.NC(CO)(CO)CO.
What is the InChIKey of 2-amino-2-(hydroxymethyl)propane-1,3-diol;azane;1-iodoethanol?
The InChIKey is AEPZCOHHNLYEKX-UHFFFAOYSA-N. The full InChI is InChI=1S/C4H11NO3.C2H5IO.H3N/c5-4(1-6,2-7)3-8;1-2(3)4;/h6-8H,1-3,5H2;2,4H,1H3;1H3.
What are the key properties of 2-amino-2-(hydroxymethyl)propane-1,3-diol;azane;1-iodoethanol?
2-amino-2-(hydroxymethyl)propane-1,3-diol;azane;1-iodoethanol has a molecular weight of 310.13 g/mol, XLogP of -1.42, 3 rotatable bonds, 6 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-2-(hydroxymethyl)propane-1,3-diol;azane;1-iodoethanol is sourced from PubChem (CID 87720524), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).