[1-[[methyl(propyl)amino]methyl]cyclopropyl]methyl hypoiodite

C9H18INO — CID 170083103

IUPAC[1-[[methyl(propyl)amino]methyl]cyclopropyl]methyl hypoiodite
SMILESCCCN(C)CC1(COI)CC1
InChIInChI=1S/C9H18INO/c1-3-6-11(2)7-9(4-5-9)8-12-10/h3-8H2,1-2H3
InChIKeyOZBGDLQXGRBZGA-UHFFFAOYSA-N
MW283.15 g/mol
LogP2.47
Rot. Bonds6

About [1-[[methyl(propyl)amino]methyl]cyclopropyl]methyl hypoiodite

[1-[[methyl(propyl)amino]methyl]cyclopropyl]methyl hypoiodite (PubChem CID 170083103) has the molecular formula C9H18INO and a molecular weight of 283.15 g/mol. Its IUPAC name is [1-[[methyl(propyl)amino]methyl]cyclopropyl]methyl hypoiodite.

Molecular Properties

Compound Name[1-[[methyl(propyl)amino]methyl]cyclopropyl]methyl hypoiodite
PubChem CID170083103
Molecular FormulaC9H18INO
Molecular Weight283.15 g/mol
Exact Mass283.04
IUPAC Name[1-[[methyl(propyl)amino]methyl]cyclopropyl]methyl hypoiodite
SMILESCCCN(C)CC1(COI)CC1
InChIInChI=1S/C9H18INO/c1-3-6-11(2)7-9(4-5-9)8-12-10/h3-8H2,1-2H3
InChIKeyOZBGDLQXGRBZGA-UHFFFAOYSA-N
XLogP2.47
TPSA12.47 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.15
LogP ≤ 52.47
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of [1-[[methyl(propyl)amino]methyl]cyclopropyl]methyl hypoiodite?
The IUPAC name of [1-[[methyl(propyl)amino]methyl]cyclopropyl]methyl hypoiodite (CID 170083103) is [1-[[methyl(propyl)amino]methyl]cyclopropyl]methyl hypoiodite.
What is the SMILES notation for [1-[[methyl(propyl)amino]methyl]cyclopropyl]methyl hypoiodite?
The canonical SMILES for [1-[[methyl(propyl)amino]methyl]cyclopropyl]methyl hypoiodite is CCCN(C)CC1(COI)CC1.
What is the InChIKey of [1-[[methyl(propyl)amino]methyl]cyclopropyl]methyl hypoiodite?
The InChIKey is OZBGDLQXGRBZGA-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H18INO/c1-3-6-11(2)7-9(4-5-9)8-12-10/h3-8H2,1-2H3.
What are the key properties of [1-[[methyl(propyl)amino]methyl]cyclopropyl]methyl hypoiodite?
[1-[[methyl(propyl)amino]methyl]cyclopropyl]methyl hypoiodite has a molecular weight of 283.15 g/mol, XLogP of 2.47, 6 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [1-[[methyl(propyl)amino]methyl]cyclopropyl]methyl hypoiodite is sourced from PubChem (CID 170083103), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).