2-[2-(2-methoxyethoxy)ethyl]-2-prop-2-enylpent-4-en-1-amine

C13H25NO2 — CID 170682411

IUPAC2-[2-(2-methoxyethoxy)ethyl]-2-prop-2-enylpent-4-en-1-amine
SMILESC=CCC(CN)(CC=C)CCOCCOC
InChIInChI=1S/C13H25NO2/c1-4-6-13(12-14,7-5-2)8-9-16-11-10-15-3/h4-5H,1-2,6-12,14H2,3H3
InChIKeyPEJPCYXMWOPMHF-UHFFFAOYSA-N
MW227.35 g/mol
LogP2.14
Rot. Bonds11

About 2-[2-(2-methoxyethoxy)ethyl]-2-prop-2-enylpent-4-en-1-amine

2-[2-(2-methoxyethoxy)ethyl]-2-prop-2-enylpent-4-en-1-amine (PubChem CID 170682411) has the molecular formula C13H25NO2 and a molecular weight of 227.35 g/mol. Its IUPAC name is 2-[2-(2-methoxyethoxy)ethyl]-2-prop-2-enylpent-4-en-1-amine.

Molecular Properties

Compound Name2-[2-(2-methoxyethoxy)ethyl]-2-prop-2-enylpent-4-en-1-amine
PubChem CID170682411
Molecular FormulaC13H25NO2
Molecular Weight227.35 g/mol
Exact Mass227.19
IUPAC Name2-[2-(2-methoxyethoxy)ethyl]-2-prop-2-enylpent-4-en-1-amine
SMILESC=CCC(CN)(CC=C)CCOCCOC
InChIInChI=1S/C13H25NO2/c1-4-6-13(12-14,7-5-2)8-9-16-11-10-15-3/h4-5H,1-2,6-12,14H2,3H3
InChIKeyPEJPCYXMWOPMHF-UHFFFAOYSA-N
XLogP2.14
TPSA44.48 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds11
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500227.35
LogP ≤ 52.14
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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Frequently Asked Questions

What is the IUPAC name of 2-[2-(2-methoxyethoxy)ethyl]-2-prop-2-enylpent-4-en-1-amine?
The IUPAC name of 2-[2-(2-methoxyethoxy)ethyl]-2-prop-2-enylpent-4-en-1-amine (CID 170682411) is 2-[2-(2-methoxyethoxy)ethyl]-2-prop-2-enylpent-4-en-1-amine.
What is the SMILES notation for 2-[2-(2-methoxyethoxy)ethyl]-2-prop-2-enylpent-4-en-1-amine?
The canonical SMILES for 2-[2-(2-methoxyethoxy)ethyl]-2-prop-2-enylpent-4-en-1-amine is C=CCC(CN)(CC=C)CCOCCOC.
What is the InChIKey of 2-[2-(2-methoxyethoxy)ethyl]-2-prop-2-enylpent-4-en-1-amine?
The InChIKey is PEJPCYXMWOPMHF-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H25NO2/c1-4-6-13(12-14,7-5-2)8-9-16-11-10-15-3/h4-5H,1-2,6-12,14H2,3H3.
What are the key properties of 2-[2-(2-methoxyethoxy)ethyl]-2-prop-2-enylpent-4-en-1-amine?
2-[2-(2-methoxyethoxy)ethyl]-2-prop-2-enylpent-4-en-1-amine has a molecular weight of 227.35 g/mol, XLogP of 2.14, 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-prop-2-enylpent-4-en-1-amine is sourced from PubChem (CID 170682411), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).