4-(2-methoxyethoxy)but-2-en-1-amine

C7H15NO2 — CID 77110475

IUPAC4-(2-methoxyethoxy)but-2-en-1-amine
SMILESCOCCOCC=CCN
InChIInChI=1S/C7H15NO2/c1-9-6-7-10-5-3-2-4-8/h2-3H,4-8H2,1H3
InChIKeyWJFKBKLJHYCBKR-UHFFFAOYSA-N
MW145.20 g/mol
LogP0.16
Rot. Bonds6

About 4-(2-methoxyethoxy)but-2-en-1-amine

4-(2-methoxyethoxy)but-2-en-1-amine (PubChem CID 77110475) has the molecular formula C7H15NO2 and a molecular weight of 145.20 g/mol. Its IUPAC name is 4-(2-methoxyethoxy)but-2-en-1-amine.

Molecular Properties

Compound Name4-(2-methoxyethoxy)but-2-en-1-amine
PubChem CID77110475
Molecular FormulaC7H15NO2
Molecular Weight145.20 g/mol
Exact Mass145.11
IUPAC Name4-(2-methoxyethoxy)but-2-en-1-amine
SMILESCOCCOCC=CCN
InChIInChI=1S/C7H15NO2/c1-9-6-7-10-5-3-2-4-8/h2-3H,4-8H2,1H3
InChIKeyWJFKBKLJHYCBKR-UHFFFAOYSA-N
XLogP0.16
TPSA44.48 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500145.20
LogP ≤ 50.16
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

4-(2-butoxyethoxy)but-2-en-1-amine
CID 77110139
4-(3,3-dimethylbutoxy)but-2-en-1-amine
CID 77135452
(6E)-8-(2-methoxyethoxy)octa-1,6-diene
CID 11344418
(2E,4Z,6Z)-1-(2-methoxyethoxy)octa-2,4,6-triene
CID 88966150
1-methoxy-2-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]ethane
CID 87439194
1-methoxy-2-[2-(2-methoxyethoxy)ethoxy]ethane
CID 8189
1,2-dimethoxyethane;1-methoxy-2-(2-methoxyethoxy)ethane;1-methoxy-2-[2-(2-methoxyethoxy)ethoxy]ethane;1-methoxy-2-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]ethane
CID 159847962
2-[2-(2-methoxyethoxy)ethoxy]ethoxymethanamine
CID 129172624
2-[2-[2-[2-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethanamine
CID 18764651
2-[2-(2-methoxyethoxy)ethoxy]acetaldehyde
CID 10607071
[(Z)-6-[2-[2-[2-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]-2-[(Z)-4-[2-[2-[2-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]but-2-enyl]hex-4-enylidene]-methyloxidanium
CID 101406634
2-methoxyethyl (Z)-4-aminobut-2-enoate
CID 124635031

Frequently Asked Questions

What is the IUPAC name of 4-(2-methoxyethoxy)but-2-en-1-amine?
The IUPAC name of 4-(2-methoxyethoxy)but-2-en-1-amine (CID 77110475) is 4-(2-methoxyethoxy)but-2-en-1-amine.
What is the SMILES notation for 4-(2-methoxyethoxy)but-2-en-1-amine?
The canonical SMILES for 4-(2-methoxyethoxy)but-2-en-1-amine is COCCOCC=CCN.
What is the InChIKey of 4-(2-methoxyethoxy)but-2-en-1-amine?
The InChIKey is WJFKBKLJHYCBKR-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H15NO2/c1-9-6-7-10-5-3-2-4-8/h2-3H,4-8H2,1H3.
What are the key properties of 4-(2-methoxyethoxy)but-2-en-1-amine?
4-(2-methoxyethoxy)but-2-en-1-amine has a molecular weight of 145.20 g/mol, XLogP of 0.16, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2-methoxyethoxy)but-2-en-1-amine is sourced from PubChem (CID 77110475), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).