2-[2-(2-methoxyethoxy)ethyl]-2-methyl-N-propylbut-3-en-1-amine

C13H27NO2 — CID 102640830

IUPAC2-[2-(2-methoxyethoxy)ethyl]-2-methyl-N-propylbut-3-en-1-amine
SMILESC=CC(C)(CCOCCOC)CNCCC
InChIInChI=1S/C13H27NO2/c1-5-8-14-12-13(3,6-2)7-9-16-11-10-15-4/h6,14H,2,5,7-12H2,1,3-4H3
InChIKeySFEJDZOQQPGXNH-UHFFFAOYSA-N
MW229.36 g/mol
LogP2.23
Rot. Bonds11

About 2-[2-(2-methoxyethoxy)ethyl]-2-methyl-N-propylbut-3-en-1-amine

2-[2-(2-methoxyethoxy)ethyl]-2-methyl-N-propylbut-3-en-1-amine (PubChem CID 102640830) has the molecular formula C13H27NO2 and a molecular weight of 229.36 g/mol. Its IUPAC name is 2-[2-(2-methoxyethoxy)ethyl]-2-methyl-N-propylbut-3-en-1-amine.

Molecular Properties

Compound Name2-[2-(2-methoxyethoxy)ethyl]-2-methyl-N-propylbut-3-en-1-amine
PubChem CID102640830
Molecular FormulaC13H27NO2
Molecular Weight229.36 g/mol
Exact Mass229.20
IUPAC Name2-[2-(2-methoxyethoxy)ethyl]-2-methyl-N-propylbut-3-en-1-amine
SMILESC=CC(C)(CCOCCOC)CNCCC
InChIInChI=1S/C13H27NO2/c1-5-8-14-12-13(3,6-2)7-9-16-11-10-15-4/h6,14H,2,5,7-12H2,1,3-4H3
InChIKeySFEJDZOQQPGXNH-UHFFFAOYSA-N
XLogP2.23
TPSA30.49 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds11
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500229.36
LogP ≤ 52.23
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-ethyl-2-methyl-2-[2-(2,2,2-trifluoroethoxy)ethyl]but-3-en-1-amine
CID 102640758
2-methyl-N-propyl-2-[2-(2,2,2-trifluoroethoxy)ethyl]but-3-en-1-amine
CID 102640923
2-methyl-N-(2-methylpropyl)-2-[2-(2,2,2-trifluoroethoxy)ethyl]but-3-en-1-amine
CID 113719718
4-butoxy-3,3-dimethyl-N-propylpent-4-en-1-amine
CID 89938542
4-ethoxy-3,3-dimethyl-N-propylpent-4-en-1-amine
CID 89938639
3,3-dimethyl-N-(2-pent-4-enoxyethyl)butan-1-amine
CID 79113987
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-[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-(2-methoxyethoxy)ethyl]-N,2-dimethylbut-3-en-1-amine
CID 102640490
2-(2-butoxyethyl)-N,2-dimethylbut-3-en-1-amine
CID 102640507

Frequently Asked Questions

What is the IUPAC name of 2-[2-(2-methoxyethoxy)ethyl]-2-methyl-N-propylbut-3-en-1-amine?
The IUPAC name of 2-[2-(2-methoxyethoxy)ethyl]-2-methyl-N-propylbut-3-en-1-amine (CID 102640830) is 2-[2-(2-methoxyethoxy)ethyl]-2-methyl-N-propylbut-3-en-1-amine.
What is the SMILES notation for 2-[2-(2-methoxyethoxy)ethyl]-2-methyl-N-propylbut-3-en-1-amine?
The canonical SMILES for 2-[2-(2-methoxyethoxy)ethyl]-2-methyl-N-propylbut-3-en-1-amine is C=CC(C)(CCOCCOC)CNCCC.
What is the InChIKey of 2-[2-(2-methoxyethoxy)ethyl]-2-methyl-N-propylbut-3-en-1-amine?
The InChIKey is SFEJDZOQQPGXNH-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H27NO2/c1-5-8-14-12-13(3,6-2)7-9-16-11-10-15-4/h6,14H,2,5,7-12H2,1,3-4H3.
What are the key properties of 2-[2-(2-methoxyethoxy)ethyl]-2-methyl-N-propylbut-3-en-1-amine?
2-[2-(2-methoxyethoxy)ethyl]-2-methyl-N-propylbut-3-en-1-amine has a molecular weight of 229.36 g/mol, XLogP of 2.23, 11 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-methyl-N-propylbut-3-en-1-amine is sourced from PubChem (CID 102640830), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).