N-[2-(2-methoxyethoxy)ethyl]-2-methylprop-2-en-1-amine

C9H19NO2 — CID 62331546

IUPACN-[2-(2-methoxyethoxy)ethyl]-2-methylprop-2-en-1-amine
SMILESC=C(C)CNCCOCCOC
InChIInChI=1S/C9H19NO2/c1-9(2)8-10-4-5-12-7-6-11-3/h10H,1,4-8H2,2-3H3
InChIKeyBMWMJROLFQDKLP-UHFFFAOYSA-N
MW173.26 g/mol
LogP0.82
Rot. Bonds8

About N-[2-(2-methoxyethoxy)ethyl]-2-methylprop-2-en-1-amine

N-[2-(2-methoxyethoxy)ethyl]-2-methylprop-2-en-1-amine (PubChem CID 62331546) has the molecular formula C9H19NO2 and a molecular weight of 173.26 g/mol. Its IUPAC name is N-[2-(2-methoxyethoxy)ethyl]-2-methylprop-2-en-1-amine.

Molecular Properties

Compound NameN-[2-(2-methoxyethoxy)ethyl]-2-methylprop-2-en-1-amine
PubChem CID62331546
Molecular FormulaC9H19NO2
Molecular Weight173.26 g/mol
Exact Mass173.14
IUPAC NameN-[2-(2-methoxyethoxy)ethyl]-2-methylprop-2-en-1-amine
SMILESC=C(C)CNCCOCCOC
InChIInChI=1S/C9H19NO2/c1-9(2)8-10-4-5-12-7-6-11-3/h10H,1,4-8H2,2-3H3
InChIKeyBMWMJROLFQDKLP-UHFFFAOYSA-N
XLogP0.82
TPSA30.49 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500173.26
LogP ≤ 50.82
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of N-[2-(2-methoxyethoxy)ethyl]-2-methylprop-2-en-1-amine?
The IUPAC name of N-[2-(2-methoxyethoxy)ethyl]-2-methylprop-2-en-1-amine (CID 62331546) is N-[2-(2-methoxyethoxy)ethyl]-2-methylprop-2-en-1-amine.
What is the SMILES notation for N-[2-(2-methoxyethoxy)ethyl]-2-methylprop-2-en-1-amine?
The canonical SMILES for N-[2-(2-methoxyethoxy)ethyl]-2-methylprop-2-en-1-amine is C=C(C)CNCCOCCOC.
What is the InChIKey of N-[2-(2-methoxyethoxy)ethyl]-2-methylprop-2-en-1-amine?
The InChIKey is BMWMJROLFQDKLP-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H19NO2/c1-9(2)8-10-4-5-12-7-6-11-3/h10H,1,4-8H2,2-3H3.
What are the key properties of N-[2-(2-methoxyethoxy)ethyl]-2-methylprop-2-en-1-amine?
N-[2-(2-methoxyethoxy)ethyl]-2-methylprop-2-en-1-amine has a molecular weight of 173.26 g/mol, XLogP of 0.82, 8 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(2-methoxyethoxy)ethyl]-2-methylprop-2-en-1-amine is sourced from PubChem (CID 62331546), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).