N-iodo-N-methyloxan-4-amine

C6H12INO — CID 129192027

IUPACN-iodo-N-methyloxan-4-amine
SMILESCN(I)C1CCOCC1
InChIInChI=1S/C6H12INO/c1-8(7)6-2-4-9-5-3-6/h6H,2-5H2,1H3
InChIKeyGGAHFSANHXSFFW-UHFFFAOYSA-N
MW241.07 g/mol
LogP1.45
Rot. Bonds1

About N-iodo-N-methyloxan-4-amine

N-iodo-N-methyloxan-4-amine (PubChem CID 129192027) has the molecular formula C6H12INO and a molecular weight of 241.07 g/mol. Its IUPAC name is N-iodo-N-methyloxan-4-amine.

Molecular Properties

Compound NameN-iodo-N-methyloxan-4-amine
PubChem CID129192027
Molecular FormulaC6H12INO
Molecular Weight241.07 g/mol
Exact Mass241.00
IUPAC NameN-iodo-N-methyloxan-4-amine
SMILESCN(I)C1CCOCC1
InChIInChI=1S/C6H12INO/c1-8(7)6-2-4-9-5-3-6/h6H,2-5H2,1H3
InChIKeyGGAHFSANHXSFFW-UHFFFAOYSA-N
XLogP1.45
TPSA12.47 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500241.07
LogP ≤ 51.45
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of N-iodo-N-methyloxan-4-amine?
The IUPAC name of N-iodo-N-methyloxan-4-amine (CID 129192027) is N-iodo-N-methyloxan-4-amine.
What is the SMILES notation for N-iodo-N-methyloxan-4-amine?
The canonical SMILES for N-iodo-N-methyloxan-4-amine is CN(I)C1CCOCC1.
What is the InChIKey of N-iodo-N-methyloxan-4-amine?
The InChIKey is GGAHFSANHXSFFW-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H12INO/c1-8(7)6-2-4-9-5-3-6/h6H,2-5H2,1H3.
What are the key properties of N-iodo-N-methyloxan-4-amine?
N-iodo-N-methyloxan-4-amine has a molecular weight of 241.07 g/mol, XLogP of 1.45, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-iodo-N-methyloxan-4-amine is sourced from PubChem (CID 129192027), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).