2-[2-(2-methoxyethoxy)ethyl]-N,2-dimethylbut-3-en-1-amine

C11H23NO2 — CID 102640490

IUPAC2-[2-(2-methoxyethoxy)ethyl]-N,2-dimethylbut-3-en-1-amine
SMILESC=CC(C)(CCOCCOC)CNC
InChIInChI=1S/C11H23NO2/c1-5-11(2,10-12-3)6-7-14-9-8-13-4/h5,12H,1,6-10H2,2-4H3
InChIKeyUPVGTOGLIFVNRL-UHFFFAOYSA-N
MW201.31 g/mol
LogP1.45
Rot. Bonds9

About 2-[2-(2-methoxyethoxy)ethyl]-N,2-dimethylbut-3-en-1-amine

2-[2-(2-methoxyethoxy)ethyl]-N,2-dimethylbut-3-en-1-amine (PubChem CID 102640490) has the molecular formula C11H23NO2 and a molecular weight of 201.31 g/mol. Its IUPAC name is 2-[2-(2-methoxyethoxy)ethyl]-N,2-dimethylbut-3-en-1-amine.

Molecular Properties

Compound Name2-[2-(2-methoxyethoxy)ethyl]-N,2-dimethylbut-3-en-1-amine
PubChem CID102640490
Molecular FormulaC11H23NO2
Molecular Weight201.31 g/mol
Exact Mass201.17
IUPAC Name2-[2-(2-methoxyethoxy)ethyl]-N,2-dimethylbut-3-en-1-amine
SMILESC=CC(C)(CCOCCOC)CNC
InChIInChI=1S/C11H23NO2/c1-5-11(2,10-12-3)6-7-14-9-8-13-4/h5,12H,1,6-10H2,2-4H3
InChIKeyUPVGTOGLIFVNRL-UHFFFAOYSA-N
XLogP1.45
TPSA30.49 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds9
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500201.31
LogP ≤ 51.45
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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Related Compounds

N,2-dimethyl-2-[2-(2,2,2-trifluoroethoxy)ethyl]but-3-en-1-amine
CID 102640593
2-[2-(2-Methoxyethoxy)ethyl]-2-methylbut-3-en-1-amine
CID 102640311
2-[2-[2-(2-Methoxyethoxy)ethoxy]ethyl]-2-methylbut-3-en-1-amine
CID 102640320
2-(2-Butoxyethyl)-2-methylbut-3-en-1-amine
CID 102640328
2-(2-Ethoxyethyl)-2-methylbut-3-en-1-amine
CID 102640350
2-[2-[2-(2-Butoxyethoxy)ethoxy]ethyl]-2-methylbut-3-en-1-amine
CID 102640388
2-(2-methoxyethyl)-N,2-dimethylbut-3-en-1-amine
CID 102640488
2-(2-butoxyethyl)-N,2-dimethylbut-3-en-1-amine
CID 102640507
2-(2-ethoxyethyl)-N,2-dimethylbut-3-en-1-amine
CID 102640527
2-[2-[2-(2-butoxyethoxy)ethoxy]ethyl]-N,2-dimethylbut-3-en-1-amine
CID 102640565
N,2-dimethyl-2-[2-[(2-methylpropan-2-yl)oxy]ethyl]but-3-en-1-amine
CID 102640584
N,2-dimethyl-2-(2-propan-2-yloxyethyl)but-3-en-1-amine
CID 102640592

Frequently Asked Questions

What is the IUPAC name of 2-[2-(2-methoxyethoxy)ethyl]-N,2-dimethylbut-3-en-1-amine?
The IUPAC name of 2-[2-(2-methoxyethoxy)ethyl]-N,2-dimethylbut-3-en-1-amine (CID 102640490) is 2-[2-(2-methoxyethoxy)ethyl]-N,2-dimethylbut-3-en-1-amine.
What is the SMILES notation for 2-[2-(2-methoxyethoxy)ethyl]-N,2-dimethylbut-3-en-1-amine?
The canonical SMILES for 2-[2-(2-methoxyethoxy)ethyl]-N,2-dimethylbut-3-en-1-amine is C=CC(C)(CCOCCOC)CNC.
What is the InChIKey of 2-[2-(2-methoxyethoxy)ethyl]-N,2-dimethylbut-3-en-1-amine?
The InChIKey is UPVGTOGLIFVNRL-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H23NO2/c1-5-11(2,10-12-3)6-7-14-9-8-13-4/h5,12H,1,6-10H2,2-4H3.
What are the key properties of 2-[2-(2-methoxyethoxy)ethyl]-N,2-dimethylbut-3-en-1-amine?
2-[2-(2-methoxyethoxy)ethyl]-N,2-dimethylbut-3-en-1-amine has a molecular weight of 201.31 g/mol, XLogP of 1.45, 9 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-(2-methoxyethoxy)ethyl]-N,2-dimethylbut-3-en-1-amine is sourced from PubChem (CID 102640490), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).