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

C12H25NO3 — CID 102640320

IUPAC2-[2-[2-(2-methoxyethoxy)ethoxy]ethyl]-2-methylbut-3-en-1-amine
SMILESC=CC(C)(CN)CCOCCOCCOC
InChIInChI=1S/C12H25NO3/c1-4-12(2,11-13)5-6-15-9-10-16-8-7-14-3/h4H,1,5-11,13H2,2-3H3
InChIKeyOUVBAJUOSHROLE-UHFFFAOYSA-N
MW231.34 g/mol
LogP1.21
Rot. Bonds11

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

2-[2-[2-(2-methoxyethoxy)ethoxy]ethyl]-2-methylbut-3-en-1-amine (PubChem CID 102640320) has the molecular formula C12H25NO3 and a molecular weight of 231.34 g/mol. Its IUPAC name is 2-[2-[2-(2-methoxyethoxy)ethoxy]ethyl]-2-methylbut-3-en-1-amine.

Molecular Properties

Compound Name2-[2-[2-(2-methoxyethoxy)ethoxy]ethyl]-2-methylbut-3-en-1-amine
PubChem CID102640320
Molecular FormulaC12H25NO3
Molecular Weight231.34 g/mol
Exact Mass231.18
IUPAC Name2-[2-[2-(2-methoxyethoxy)ethoxy]ethyl]-2-methylbut-3-en-1-amine
SMILESC=CC(C)(CN)CCOCCOCCOC
InChIInChI=1S/C12H25NO3/c1-4-12(2,11-13)5-6-15-9-10-16-8-7-14-3/h4H,1,5-11,13H2,2-3H3
InChIKeyOUVBAJUOSHROLE-UHFFFAOYSA-N
XLogP1.21
TPSA53.71 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds11
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500231.34
LogP ≤ 51.21
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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-Methoxyethoxy)ethyl]-2-methylbut-3-en-1-amine
CID 102640311
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-(2-methoxyethoxy)ethoxy]ethyl]-2-methylbut-3-en-1-amine?
The IUPAC name of 2-[2-[2-(2-methoxyethoxy)ethoxy]ethyl]-2-methylbut-3-en-1-amine (CID 102640320) is 2-[2-[2-(2-methoxyethoxy)ethoxy]ethyl]-2-methylbut-3-en-1-amine.
What is the SMILES notation for 2-[2-[2-(2-methoxyethoxy)ethoxy]ethyl]-2-methylbut-3-en-1-amine?
The canonical SMILES for 2-[2-[2-(2-methoxyethoxy)ethoxy]ethyl]-2-methylbut-3-en-1-amine is C=CC(C)(CN)CCOCCOCCOC.
What is the InChIKey of 2-[2-[2-(2-methoxyethoxy)ethoxy]ethyl]-2-methylbut-3-en-1-amine?
The InChIKey is OUVBAJUOSHROLE-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H25NO3/c1-4-12(2,11-13)5-6-15-9-10-16-8-7-14-3/h4H,1,5-11,13H2,2-3H3.
What are the key properties of 2-[2-[2-(2-methoxyethoxy)ethoxy]ethyl]-2-methylbut-3-en-1-amine?
2-[2-[2-(2-methoxyethoxy)ethoxy]ethyl]-2-methylbut-3-en-1-amine has a molecular weight of 231.34 g/mol, XLogP of 1.21, 11 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-[2-(2-methoxyethoxy)ethoxy]ethyl]-2-methylbut-3-en-1-amine is sourced from PubChem (CID 102640320), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).