2-[2-(2-methoxyethoxy)ethyl]-2-methylbut-3-en-1-amine

C10H21NO2 — CID 102640311

IUPAC2-[2-(2-methoxyethoxy)ethyl]-2-methylbut-3-en-1-amine
SMILESC=CC(C)(CN)CCOCCOC
InChIInChI=1S/C10H21NO2/c1-4-10(2,9-11)5-6-13-8-7-12-3/h4H,1,5-9,11H2,2-3H3
InChIKeyPYIDBBKPQXFAMM-UHFFFAOYSA-N
MW187.28 g/mol
LogP1.19
Rot. Bonds8

About 2-[2-(2-methoxyethoxy)ethyl]-2-methylbut-3-en-1-amine

2-[2-(2-methoxyethoxy)ethyl]-2-methylbut-3-en-1-amine (PubChem CID 102640311) has the molecular formula C10H21NO2 and a molecular weight of 187.28 g/mol. Its IUPAC name is 2-[2-(2-methoxyethoxy)ethyl]-2-methylbut-3-en-1-amine.

Molecular Properties

Compound Name2-[2-(2-methoxyethoxy)ethyl]-2-methylbut-3-en-1-amine
PubChem CID102640311
Molecular FormulaC10H21NO2
Molecular Weight187.28 g/mol
Exact Mass187.16
IUPAC Name2-[2-(2-methoxyethoxy)ethyl]-2-methylbut-3-en-1-amine
SMILESC=CC(C)(CN)CCOCCOC
InChIInChI=1S/C10H21NO2/c1-4-10(2,9-11)5-6-13-8-7-12-3/h4H,1,5-9,11H2,2-3H3
InChIKeyPYIDBBKPQXFAMM-UHFFFAOYSA-N
XLogP1.19
TPSA44.48 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500187.28
LogP ≤ 51.19
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

2-Methyl-2-[2-(2,2,2-trifluoroethoxy)ethyl]but-3-en-1-amine
CID 102640416
2-(2-Methoxyethyl)-2-methylbut-3-en-1-amine
CID 102640309
2-[2-(2-Methoxyethoxy)ethyl]-2-prop-2-enylpent-4-en-1-amine
CID 170682411
2-[2-[2-[2-(2-Methoxyethoxy)ethoxy]ethoxy]ethyl]-2-prop-2-enylpent-4-en-1-amine
CID 170682417
2-[2-[2-[2-[2-[2-[2-(2-Methoxyethoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethyl]-2-prop-2-enylpent-4-en-1-amine
CID 170682422
2-[2-[2-(2-Methoxyethoxy)ethoxy]ethyl]-2-prop-2-enylpent-4-en-1-amine
CID 170682425
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-Methyl-2-[2-[(2-methylpropan-2-yl)oxy]ethyl]but-3-en-1-amine
CID 102640407
2-Methyl-2-(2-propan-2-yloxyethyl)but-3-en-1-amine
CID 102640415

Frequently Asked Questions

What is the IUPAC name of 2-[2-(2-methoxyethoxy)ethyl]-2-methylbut-3-en-1-amine?
The IUPAC name of 2-[2-(2-methoxyethoxy)ethyl]-2-methylbut-3-en-1-amine (CID 102640311) is 2-[2-(2-methoxyethoxy)ethyl]-2-methylbut-3-en-1-amine.
What is the SMILES notation for 2-[2-(2-methoxyethoxy)ethyl]-2-methylbut-3-en-1-amine?
The canonical SMILES for 2-[2-(2-methoxyethoxy)ethyl]-2-methylbut-3-en-1-amine is C=CC(C)(CN)CCOCCOC.
What is the InChIKey of 2-[2-(2-methoxyethoxy)ethyl]-2-methylbut-3-en-1-amine?
The InChIKey is PYIDBBKPQXFAMM-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H21NO2/c1-4-10(2,9-11)5-6-13-8-7-12-3/h4H,1,5-9,11H2,2-3H3.
What are the key properties of 2-[2-(2-methoxyethoxy)ethyl]-2-methylbut-3-en-1-amine?
2-[2-(2-methoxyethoxy)ethyl]-2-methylbut-3-en-1-amine has a molecular weight of 187.28 g/mol, XLogP of 1.19, 8 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]-2-methylbut-3-en-1-amine is sourced from PubChem (CID 102640311), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).