2-[2-(2-isocyanoethoxy)ethoxy]-N-methylethanamine

C8H16N2O2 — CID 159488608

IUPAC2-[2-(2-isocyanoethoxy)ethoxy]-N-methylethanamine
SMILES[C-]#[N+]CCOCCOCCNC
InChIInChI=1S/C8H16N2O2/c1-9-3-5-11-7-8-12-6-4-10-2/h9H,3-8H2,1H3
InChIKeyADVCUHHLQONXLW-UHFFFAOYSA-N
MW172.23 g/mol
LogP0.16
Rot. Bonds8

About 2-[2-(2-isocyanoethoxy)ethoxy]-N-methylethanamine

2-[2-(2-isocyanoethoxy)ethoxy]-N-methylethanamine (PubChem CID 159488608) has the molecular formula C8H16N2O2 and a molecular weight of 172.23 g/mol. Its IUPAC name is 2-[2-(2-isocyanoethoxy)ethoxy]-N-methylethanamine.

Molecular Properties

Compound Name2-[2-(2-isocyanoethoxy)ethoxy]-N-methylethanamine
PubChem CID159488608
Molecular FormulaC8H16N2O2
Molecular Weight172.23 g/mol
Exact Mass172.12
IUPAC Name2-[2-(2-isocyanoethoxy)ethoxy]-N-methylethanamine
SMILES[C-]#[N+]CCOCCOCCNC
InChIInChI=1S/C8H16N2O2/c1-9-3-5-11-7-8-12-6-4-10-2/h9H,3-8H2,1H3
InChIKeyADVCUHHLQONXLW-UHFFFAOYSA-N
XLogP0.16
TPSA34.85 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500172.23
LogP ≤ 50.16
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 2-[2-(2-isocyanoethoxy)ethoxy]-N-methylethanamine?
The IUPAC name of 2-[2-(2-isocyanoethoxy)ethoxy]-N-methylethanamine (CID 159488608) is 2-[2-(2-isocyanoethoxy)ethoxy]-N-methylethanamine.
What is the SMILES notation for 2-[2-(2-isocyanoethoxy)ethoxy]-N-methylethanamine?
The canonical SMILES for 2-[2-(2-isocyanoethoxy)ethoxy]-N-methylethanamine is [C-]#[N+]CCOCCOCCNC.
What is the InChIKey of 2-[2-(2-isocyanoethoxy)ethoxy]-N-methylethanamine?
The InChIKey is ADVCUHHLQONXLW-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H16N2O2/c1-9-3-5-11-7-8-12-6-4-10-2/h9H,3-8H2,1H3.
What are the key properties of 2-[2-(2-isocyanoethoxy)ethoxy]-N-methylethanamine?
2-[2-(2-isocyanoethoxy)ethoxy]-N-methylethanamine has a molecular weight of 172.23 g/mol, XLogP of 0.16, 8 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-(2-isocyanoethoxy)ethoxy]-N-methylethanamine is sourced from PubChem (CID 159488608), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).