[(4R,5R)-5-(aminomethyl)-2,2-diiodo-1,3-dioxolan-4-yl]methanamine

C5H10I2N2O2 — CID 54175618

IUPAC[(4R,5R)-5-(aminomethyl)-2,2-diiodo-1,3-dioxolan-4-yl]methanamine
SMILESNC[C@H]1OC(I)(I)O[C@@H]1CN
InChIInChI=1S/C5H10I2N2O2/c6-5(7)10-3(1-8)4(2-9)11-5/h3-4H,1-2,8-9H2/t3-,4-/m1/s1
InChIKeyOYDBAYDGKHKUFW-QWWZWVQMSA-N
MW383.96 g/mol
LogP0.17
Rot. Bonds2

About [(4R,5R)-5-(aminomethyl)-2,2-diiodo-1,3-dioxolan-4-yl]methanamine

[(4R,5R)-5-(aminomethyl)-2,2-diiodo-1,3-dioxolan-4-yl]methanamine (PubChem CID 54175618) has the molecular formula C5H10I2N2O2 and a molecular weight of 383.96 g/mol. Its IUPAC name is [(4R,5R)-5-(aminomethyl)-2,2-diiodo-1,3-dioxolan-4-yl]methanamine.

Molecular Properties

Compound Name[(4R,5R)-5-(aminomethyl)-2,2-diiodo-1,3-dioxolan-4-yl]methanamine
PubChem CID54175618
Molecular FormulaC5H10I2N2O2
Molecular Weight383.96 g/mol
Exact Mass383.88
IUPAC Name[(4R,5R)-5-(aminomethyl)-2,2-diiodo-1,3-dioxolan-4-yl]methanamine
SMILESNC[C@H]1OC(I)(I)O[C@@H]1CN
InChIInChI=1S/C5H10I2N2O2/c6-5(7)10-3(1-8)4(2-9)11-5/h3-4H,1-2,8-9H2/t3-,4-/m1/s1
InChIKeyOYDBAYDGKHKUFW-QWWZWVQMSA-N
XLogP0.17
TPSA70.50 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500383.96
LogP ≤ 50.17
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze [(4R,5R)-5-(aminomethyl)-2,2-diiodo-1,3-dioxolan-4-yl]methanamine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

[5-(aminomethyl)-2,2-dimethyl-1,3-dioxolan-4-yl]methanamine
CID 2829039
[(4R,5R)-5-(aminomethyl)-2,2-diethyl-1,3-dioxolan-4-yl]methanamine;platinum(2+)
CID 159019072
[(4R,5R)-5-(aminomethyl)-2-ethyl-2-methyl-1,3-dioxolan-4-yl]methanamine;platinum
CID 161224025
[5-(aminomethyl)-2,2-dimethyl-1,3-dioxolan-4-yl]methanol
CID 13091751
1-[(2S,4S,5R)-5-(aminomethyl)-4-hydroxy-2-iodooxolan-2-yl]pyrimidine-2,4-dione
CID 140976474
[(4R,5R)-5-(aminomethyl)-1,3-dioxolan-4-yl]methanamine
CID 10441741
[(1S,2S,4S,5R)-4-(aminomethyl)-3,6-dioxabicyclo[3.1.0]hexan-2-yl]methanamine
CID 55291443
[(4S,5S)-5-(aminomethyl)-1,3-dioxolan-4-yl]methanamine;diiodoplatinum
CID 22852080
[(4R,5R)-5-(aminomethyl)-2-(2-methylpropyl)-1,3-dioxolan-4-yl]methanamine
CID 22852073
[(1S,2R,6S,8R,9S)-4,4,11,11-tetramethyl-3,5,7,10,12-pentaoxatricyclo[7.3.0.02,6]dodecan-8-yl]methanamine
CID 7057290
2,4-dioxabicyclo[1.1.0]butan-1-ylmethanamine
CID 57006097
5-(aminomethyl)-2-(hydroxymethyl)-4-methyloxolane-2,3-diol;ethane
CID 177060046

Frequently Asked Questions

What is the IUPAC name of [(4R,5R)-5-(aminomethyl)-2,2-diiodo-1,3-dioxolan-4-yl]methanamine?
The IUPAC name of [(4R,5R)-5-(aminomethyl)-2,2-diiodo-1,3-dioxolan-4-yl]methanamine (CID 54175618) is [(4R,5R)-5-(aminomethyl)-2,2-diiodo-1,3-dioxolan-4-yl]methanamine.
What is the SMILES notation for [(4R,5R)-5-(aminomethyl)-2,2-diiodo-1,3-dioxolan-4-yl]methanamine?
The canonical SMILES for [(4R,5R)-5-(aminomethyl)-2,2-diiodo-1,3-dioxolan-4-yl]methanamine is NC[C@H]1OC(I)(I)O[C@@H]1CN.
What is the InChIKey of [(4R,5R)-5-(aminomethyl)-2,2-diiodo-1,3-dioxolan-4-yl]methanamine?
The InChIKey is OYDBAYDGKHKUFW-QWWZWVQMSA-N. The full InChI is InChI=1S/C5H10I2N2O2/c6-5(7)10-3(1-8)4(2-9)11-5/h3-4H,1-2,8-9H2/t3-,4-/m1/s1.
What are the key properties of [(4R,5R)-5-(aminomethyl)-2,2-diiodo-1,3-dioxolan-4-yl]methanamine?
[(4R,5R)-5-(aminomethyl)-2,2-diiodo-1,3-dioxolan-4-yl]methanamine has a molecular weight of 383.96 g/mol, XLogP of 0.17, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [(4R,5R)-5-(aminomethyl)-2,2-diiodo-1,3-dioxolan-4-yl]methanamine is sourced from PubChem (CID 54175618), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).