2-(2,5-diiodo-1,3-dioxan-4-yl)-N,N-dimethylethanamine

C8H15I2NO2 — CID 175483609

IUPAC2-(2,5-diiodo-1,3-dioxan-4-yl)-N,N-dimethylethanamine
SMILESCN(C)CCC1OC(I)OCC1I
InChIInChI=1S/C8H15I2NO2/c1-11(2)4-3-7-6(9)5-12-8(10)13-7/h6-8H,3-5H2,1-2H3
InChIKeyFSFOOCWDPVLWHQ-UHFFFAOYSA-N
MW411.02 g/mol
LogP1.88
Rot. Bonds3

About 2-(2,5-diiodo-1,3-dioxan-4-yl)-N,N-dimethylethanamine

2-(2,5-diiodo-1,3-dioxan-4-yl)-N,N-dimethylethanamine (PubChem CID 175483609) has the molecular formula C8H15I2NO2 and a molecular weight of 411.02 g/mol. Its IUPAC name is 2-(2,5-diiodo-1,3-dioxan-4-yl)-N,N-dimethylethanamine.

Molecular Properties

Compound Name2-(2,5-diiodo-1,3-dioxan-4-yl)-N,N-dimethylethanamine
PubChem CID175483609
Molecular FormulaC8H15I2NO2
Molecular Weight411.02 g/mol
Exact Mass410.92
IUPAC Name2-(2,5-diiodo-1,3-dioxan-4-yl)-N,N-dimethylethanamine
SMILESCN(C)CCC1OC(I)OCC1I
InChIInChI=1S/C8H15I2NO2/c1-11(2)4-3-7-6(9)5-12-8(10)13-7/h6-8H,3-5H2,1-2H3
InChIKeyFSFOOCWDPVLWHQ-UHFFFAOYSA-N
XLogP1.88
TPSA21.70 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500411.02
LogP ≤ 51.88
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

2-(2,5-diiodo-1,3-dioxolan-4-yl)-N,N-dimethylethanamine
CID 175442389
azane;N,N-dimethyl-2-(oxiran-2-yl)ethanamine;hydrochloride
CID 174892237
2-[2-[2-(dimethylamino)ethyl]-1,3-dioxolan-4-yl]ethanamine
CID 117170153
N,N-dimethyl-2-(4-methyl-1,3-oxazolidin-2-yl)ethanamine
CID 117228622
N,N-dimethyl-7-(oxiran-2-yl)heptan-1-amine
CID 160855630
2-(2,5-dimethylcyclopentyl)-N,N-dimethylethanamine
CID 168836520
2-[(4R)-2,2-diiodo-1,3-dioxolan-4-yl]-N,N-dimethylethanamine
CID 175908064
CID 175475934
CID 175475934
N,N-dimethyl-2-[4-(oxiran-2-ylmethyl)piperazin-1-yl]ethanamine
CID 62887185
2-(3,4-dimethylcyclopentyl)-N,N-dimethylethanamine
CID 168836528
3-[2-(dimethylamino)ethyl]cyclopentan-1-ol
CID 130149238
N-[(2R,6R)-2,6-di(propan-2-yl)oxan-4-yl]-N',N'-dimethylethane-1,2-diamine
CID 125430986

Frequently Asked Questions

What is the IUPAC name of 2-(2,5-diiodo-1,3-dioxan-4-yl)-N,N-dimethylethanamine?
The IUPAC name of 2-(2,5-diiodo-1,3-dioxan-4-yl)-N,N-dimethylethanamine (CID 175483609) is 2-(2,5-diiodo-1,3-dioxan-4-yl)-N,N-dimethylethanamine.
What is the SMILES notation for 2-(2,5-diiodo-1,3-dioxan-4-yl)-N,N-dimethylethanamine?
The canonical SMILES for 2-(2,5-diiodo-1,3-dioxan-4-yl)-N,N-dimethylethanamine is CN(C)CCC1OC(I)OCC1I.
What is the InChIKey of 2-(2,5-diiodo-1,3-dioxan-4-yl)-N,N-dimethylethanamine?
The InChIKey is FSFOOCWDPVLWHQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H15I2NO2/c1-11(2)4-3-7-6(9)5-12-8(10)13-7/h6-8H,3-5H2,1-2H3.
What are the key properties of 2-(2,5-diiodo-1,3-dioxan-4-yl)-N,N-dimethylethanamine?
2-(2,5-diiodo-1,3-dioxan-4-yl)-N,N-dimethylethanamine has a molecular weight of 411.02 g/mol, XLogP of 1.88, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2,5-diiodo-1,3-dioxan-4-yl)-N,N-dimethylethanamine is sourced from PubChem (CID 175483609), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).