2-(2-methoxyethyl)pent-4-en-1-amine

C8H17NO — CID 130906794

IUPAC2-(2-methoxyethyl)pent-4-en-1-amine
SMILESC=CCC(CN)CCOC
InChIInChI=1S/C8H17NO/c1-3-4-8(7-9)5-6-10-2/h3,8H,1,4-7,9H2,2H3
InChIKeyILHQKVCEMPJGSL-UHFFFAOYSA-N
MW143.23 g/mol
LogP1.17
Rot. Bonds6

About 2-(2-methoxyethyl)pent-4-en-1-amine

2-(2-methoxyethyl)pent-4-en-1-amine (PubChem CID 130906794) has the molecular formula C8H17NO and a molecular weight of 143.23 g/mol. Its IUPAC name is 2-(2-methoxyethyl)pent-4-en-1-amine.

Molecular Properties

Compound Name2-(2-methoxyethyl)pent-4-en-1-amine
PubChem CID130906794
Molecular FormulaC8H17NO
Molecular Weight143.23 g/mol
Exact Mass143.13
IUPAC Name2-(2-methoxyethyl)pent-4-en-1-amine
SMILESC=CCC(CN)CCOC
InChIInChI=1S/C8H17NO/c1-3-4-8(7-9)5-6-10-2/h3,8H,1,4-7,9H2,2H3
InChIKeyILHQKVCEMPJGSL-UHFFFAOYSA-N
XLogP1.17
TPSA35.25 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500143.23
LogP ≤ 51.17
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2-(2-methoxyethyl)pent-4-en-1-amine?
The IUPAC name of 2-(2-methoxyethyl)pent-4-en-1-amine (CID 130906794) is 2-(2-methoxyethyl)pent-4-en-1-amine.
What is the SMILES notation for 2-(2-methoxyethyl)pent-4-en-1-amine?
The canonical SMILES for 2-(2-methoxyethyl)pent-4-en-1-amine is C=CCC(CN)CCOC.
What is the InChIKey of 2-(2-methoxyethyl)pent-4-en-1-amine?
The InChIKey is ILHQKVCEMPJGSL-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H17NO/c1-3-4-8(7-9)5-6-10-2/h3,8H,1,4-7,9H2,2H3.
What are the key properties of 2-(2-methoxyethyl)pent-4-en-1-amine?
2-(2-methoxyethyl)pent-4-en-1-amine has a molecular weight of 143.23 g/mol, XLogP of 1.17, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-methoxyethyl)pent-4-en-1-amine is sourced from PubChem (CID 130906794), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).