iodo N-[2-[2-(methylamino)ethoxy]ethyl]carbamate

C6H13IN2O3 — CID 167046629

IUPACiodo N-[2-[2-(methylamino)ethoxy]ethyl]carbamate
SMILESCNCCOCCNC(=O)OI
InChIInChI=1S/C6H13IN2O3/c1-8-2-4-11-5-3-9-6(10)12-7/h8H,2-5H2,1H3,(H,9,10)
InChIKeyFASOQPXMXQGHKT-UHFFFAOYSA-N
MW288.09 g/mol
LogP0.30
Rot. Bonds6

About iodo N-[2-[2-(methylamino)ethoxy]ethyl]carbamate

iodo N-[2-[2-(methylamino)ethoxy]ethyl]carbamate (PubChem CID 167046629) has the molecular formula C6H13IN2O3 and a molecular weight of 288.09 g/mol. Its IUPAC name is iodo N-[2-[2-(methylamino)ethoxy]ethyl]carbamate.

Molecular Properties

Compound Nameiodo N-[2-[2-(methylamino)ethoxy]ethyl]carbamate
PubChem CID167046629
Molecular FormulaC6H13IN2O3
Molecular Weight288.09 g/mol
Exact Mass288.00
IUPAC Nameiodo N-[2-[2-(methylamino)ethoxy]ethyl]carbamate
SMILESCNCCOCCNC(=O)OI
InChIInChI=1S/C6H13IN2O3/c1-8-2-4-11-5-3-9-6(10)12-7/h8H,2-5H2,1H3,(H,9,10)
InChIKeyFASOQPXMXQGHKT-UHFFFAOYSA-N
XLogP0.30
TPSA59.59 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.09
LogP ≤ 50.30
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze iodo N-[2-[2-(methylamino)ethoxy]ethyl]carbamate with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

tert-butyl N-[2-[2-[5-[2-[2-[2-[2-[2-[2-[2-(methylamino)ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]pentoxy]ethoxy]ethyl]carbamate
CID 177120478
tert-butyl N-[2-[2-[2-[2-[2-[2-[(2-methylpropan-2-yl)oxycarbonylamino]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethyl]carbamate
CID 154659295
4-[2-[2-[2-[2-[2-[2-(methylamino)ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]butan-2-one
CID 170145054
4-[2-[2-[2-[2-(methylamino)ethoxy]ethoxy]ethoxy]ethoxy]butan-2-one
CID 90086925
4-[2-[2-(methylamino)ethoxy]ethoxy]butan-2-one
CID 59450621
3-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-(methylamino)ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]propanoic acid
CID 170424406
N-methyl-2-[2-[2-[2-[2-[2-[2-[2-(methylamino)ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethanamine
CID 146243407
2-[2-[2-[2-[2-(methylamino)ethoxy]ethoxy]ethoxy]ethoxy]ethyl N-methylcarbamate
CID 142392004
2-[2-(methylamino)ethoxy]ethyl N-methylcarbamate
CID 87799923
2-[2-[2-(methylamino)ethoxy]ethoxy]ethyl N-butylcarbamate
CID 87800819
N-[2-[2-[2-[2-(methylamino)ethoxy]ethoxy]ethoxy]ethyl]heptanamide
CID 170040570
methyl 4-[2-(methylamino)ethoxy]butanoate
CID 82353174

Frequently Asked Questions

What is the IUPAC name of iodo N-[2-[2-(methylamino)ethoxy]ethyl]carbamate?
The IUPAC name of iodo N-[2-[2-(methylamino)ethoxy]ethyl]carbamate (CID 167046629) is iodo N-[2-[2-(methylamino)ethoxy]ethyl]carbamate.
What is the SMILES notation for iodo N-[2-[2-(methylamino)ethoxy]ethyl]carbamate?
The canonical SMILES for iodo N-[2-[2-(methylamino)ethoxy]ethyl]carbamate is CNCCOCCNC(=O)OI.
What is the InChIKey of iodo N-[2-[2-(methylamino)ethoxy]ethyl]carbamate?
The InChIKey is FASOQPXMXQGHKT-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H13IN2O3/c1-8-2-4-11-5-3-9-6(10)12-7/h8H,2-5H2,1H3,(H,9,10).
What are the key properties of iodo N-[2-[2-(methylamino)ethoxy]ethyl]carbamate?
iodo N-[2-[2-(methylamino)ethoxy]ethyl]carbamate has a molecular weight of 288.09 g/mol, XLogP of 0.30, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for iodo N-[2-[2-(methylamino)ethoxy]ethyl]carbamate is sourced from PubChem (CID 167046629), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).