2,3-diethoxy-N-iodopropan-1-amine

C7H16INO2 — CID 166782054

IUPAC2,3-diethoxy-N-iodopropan-1-amine
SMILESCCOCC(CNI)OCC
InChIInChI=1S/C7H16INO2/c1-3-10-6-7(5-9-8)11-4-2/h7,9H,3-6H2,1-2H3
InChIKeyWGTYXTWSVJIZLC-UHFFFAOYSA-N
MW273.11 g/mol
LogP1.37
Rot. Bonds7

About 2,3-diethoxy-N-iodopropan-1-amine

2,3-diethoxy-N-iodopropan-1-amine (PubChem CID 166782054) has the molecular formula C7H16INO2 and a molecular weight of 273.11 g/mol. Its IUPAC name is 2,3-diethoxy-N-iodopropan-1-amine.

Molecular Properties

Compound Name2,3-diethoxy-N-iodopropan-1-amine
PubChem CID166782054
Molecular FormulaC7H16INO2
Molecular Weight273.11 g/mol
Exact Mass273.02
IUPAC Name2,3-diethoxy-N-iodopropan-1-amine
SMILESCCOCC(CNI)OCC
InChIInChI=1S/C7H16INO2/c1-3-10-6-7(5-9-8)11-4-2/h7,9H,3-6H2,1-2H3
InChIKeyWGTYXTWSVJIZLC-UHFFFAOYSA-N
XLogP1.37
TPSA30.49 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500273.11
LogP ≤ 51.37
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

(2R)-2,3-diethoxypropan-1-ol
CID 129362297
benzene;1,2-diethoxybutane
CID 67553171
2-(1,3-diethoxypropan-2-yloxy)-1,3-diethoxypropane
CID 87533992
N-(3-decoxy-2-ethoxypropyl)formamide
CID 156583393
(2R)-1,2-diethoxypropane
CID 92973991
N'-[3-[(2-ethoxy-3-octadecoxypropyl)amino]propyl]-N-[3-(ethylamino)propyl]butane-1,4-diamine;tetrahydrochloride
CID 171357118
N-(2-ethoxy-3-methoxypropyl)-2-methylpropan-2-amine
CID 103227770
1,6-diethoxydecane
CID 150917298
1-(1,2-diethoxyethoxy)hexane
CID 173222858
1,1,3-triethoxy-N-methylpropan-2-amine
CID 79570224
2,3-didodecoxy-N-methylpropan-1-amine
CID 170032981
O-(1-aminooxy-3-ethoxypropan-2-yl)hydroxylamine
CID 87320683

Frequently Asked Questions

What is the IUPAC name of 2,3-diethoxy-N-iodopropan-1-amine?
The IUPAC name of 2,3-diethoxy-N-iodopropan-1-amine (CID 166782054) is 2,3-diethoxy-N-iodopropan-1-amine.
What is the SMILES notation for 2,3-diethoxy-N-iodopropan-1-amine?
The canonical SMILES for 2,3-diethoxy-N-iodopropan-1-amine is CCOCC(CNI)OCC.
What is the InChIKey of 2,3-diethoxy-N-iodopropan-1-amine?
The InChIKey is WGTYXTWSVJIZLC-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H16INO2/c1-3-10-6-7(5-9-8)11-4-2/h7,9H,3-6H2,1-2H3.
What are the key properties of 2,3-diethoxy-N-iodopropan-1-amine?
2,3-diethoxy-N-iodopropan-1-amine has a molecular weight of 273.11 g/mol, XLogP of 1.37, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2,3-diethoxy-N-iodopropan-1-amine is sourced from PubChem (CID 166782054), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).