1-methyliodanuidyl-N-(oxiran-2-ylmethoxy)methanamine

C5H11INO2- — CID 163898090

IUPAC1-methyliodanuidyl-N-(oxiran-2-ylmethoxy)methanamine
SMILESC[I-]CNOCC1CO1
InChIInChI=1S/C5H11INO2/c1-6-4-7-9-3-5-2-8-5/h5,7H,2-4H2,1H3/q-1
InChIKeyKEGJDJRLLMZYHP-UHFFFAOYSA-N
MW244.05 g/mol
LogP-3.42
Rot. Bonds5

About 1-methyliodanuidyl-N-(oxiran-2-ylmethoxy)methanamine

1-methyliodanuidyl-N-(oxiran-2-ylmethoxy)methanamine (PubChem CID 163898090) has the molecular formula C5H11INO2- and a molecular weight of 244.05 g/mol. Its IUPAC name is 1-methyliodanuidyl-N-(oxiran-2-ylmethoxy)methanamine.

Molecular Properties

Compound Name1-methyliodanuidyl-N-(oxiran-2-ylmethoxy)methanamine
PubChem CID163898090
Molecular FormulaC5H11INO2-
Molecular Weight244.05 g/mol
Exact Mass243.98
IUPAC Name1-methyliodanuidyl-N-(oxiran-2-ylmethoxy)methanamine
SMILESC[I-]CNOCC1CO1
InChIInChI=1S/C5H11INO2/c1-6-4-7-9-3-5-2-8-5/h5,7H,2-4H2,1H3/q-1
InChIKeyKEGJDJRLLMZYHP-UHFFFAOYSA-N
XLogP-3.42
TPSA33.79 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500244.05
LogP ≤ 5-3.42
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'alkyl_halide', 'substructure': 'N/A'}, {'alert_name': 'iodine', 'substructure': 'N/A'}, {'alert_name': 'N-C-halo', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

N-(oxiran-2-ylmethoxy)methanamine
CID 154141939
methane;2-(oxiran-2-ylmethoxymethyl)oxirane
CID 167637417
ethanol;2-(oxiran-2-ylmethoxymethyl)oxirane
CID 87071861
diethoxy(dimethyl)silane;2-(oxiran-2-ylmethoxymethyl)oxirane
CID 158655964
2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-(oxiran-2-ylmethoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxymethyl]oxirane
CID 58765936
2-(oxiran-2-ylmethoxymethyl)oxirane;oxophosphane
CID 22290133
2-methylprop-1-ene;2-(oxiran-2-ylmethoxymethyl)oxirane
CID 87296159
2-(propoxymethyl)oxirane
CID 18406
1-ethoxy-N-(oxiran-2-ylmethoxy)ethenamine
CID 57112600
dimethyl-[2-(oxiran-2-ylmethoxy)ethyl]-(2-trimethylsilylethyl)silane
CID 58242723
2-(oxiran-2-ylmethoxymethyl)oxirane;tetradecane
CID 87058991
ethene;2-(oxiran-2-ylmethoxymethyl)oxirane;prop-1-ene
CID 23018396

Frequently Asked Questions

What is the IUPAC name of 1-methyliodanuidyl-N-(oxiran-2-ylmethoxy)methanamine?
The IUPAC name of 1-methyliodanuidyl-N-(oxiran-2-ylmethoxy)methanamine (CID 163898090) is 1-methyliodanuidyl-N-(oxiran-2-ylmethoxy)methanamine.
What is the SMILES notation for 1-methyliodanuidyl-N-(oxiran-2-ylmethoxy)methanamine?
The canonical SMILES for 1-methyliodanuidyl-N-(oxiran-2-ylmethoxy)methanamine is C[I-]CNOCC1CO1.
What is the InChIKey of 1-methyliodanuidyl-N-(oxiran-2-ylmethoxy)methanamine?
The InChIKey is KEGJDJRLLMZYHP-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H11INO2/c1-6-4-7-9-3-5-2-8-5/h5,7H,2-4H2,1H3/q-1.
What are the key properties of 1-methyliodanuidyl-N-(oxiran-2-ylmethoxy)methanamine?
1-methyliodanuidyl-N-(oxiran-2-ylmethoxy)methanamine has a molecular weight of 244.05 g/mol, XLogP of -3.42, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methyliodanuidyl-N-(oxiran-2-ylmethoxy)methanamine is sourced from PubChem (CID 163898090), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).