1-(oxolan-2-yl)-N-(2-pent-4-enoxyethyl)ethanamine

C13H25NO2 — CID 79114284

IUPAC1-(oxolan-2-yl)-N-(2-pent-4-enoxyethyl)ethanamine
SMILESC=CCCCOCCNC(C)C1CCCO1
InChIInChI=1S/C13H25NO2/c1-3-4-5-9-15-11-8-14-12(2)13-7-6-10-16-13/h3,12-14H,1,4-11H2,2H3
InChIKeySTDBZMSHEMNOCP-UHFFFAOYSA-N
MW227.35 g/mol
LogP2.13
Rot. Bonds9

About 1-(oxolan-2-yl)-N-(2-pent-4-enoxyethyl)ethanamine

1-(oxolan-2-yl)-N-(2-pent-4-enoxyethyl)ethanamine (PubChem CID 79114284) has the molecular formula C13H25NO2 and a molecular weight of 227.35 g/mol. Its IUPAC name is 1-(oxolan-2-yl)-N-(2-pent-4-enoxyethyl)ethanamine.

Molecular Properties

Compound Name1-(oxolan-2-yl)-N-(2-pent-4-enoxyethyl)ethanamine
PubChem CID79114284
Molecular FormulaC13H25NO2
Molecular Weight227.35 g/mol
Exact Mass227.19
IUPAC Name1-(oxolan-2-yl)-N-(2-pent-4-enoxyethyl)ethanamine
SMILESC=CCCCOCCNC(C)C1CCCO1
InChIInChI=1S/C13H25NO2/c1-3-4-5-9-15-11-8-14-12(2)13-7-6-10-16-13/h3,12-14H,1,4-11H2,2H3
InChIKeySTDBZMSHEMNOCP-UHFFFAOYSA-N
XLogP2.13
TPSA30.49 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds9
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500227.35
LogP ≤ 52.13
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 1-(oxolan-2-yl)-N-(2-pent-4-enoxyethyl)ethanamine?
The IUPAC name of 1-(oxolan-2-yl)-N-(2-pent-4-enoxyethyl)ethanamine (CID 79114284) is 1-(oxolan-2-yl)-N-(2-pent-4-enoxyethyl)ethanamine.
What is the SMILES notation for 1-(oxolan-2-yl)-N-(2-pent-4-enoxyethyl)ethanamine?
The canonical SMILES for 1-(oxolan-2-yl)-N-(2-pent-4-enoxyethyl)ethanamine is C=CCCCOCCNC(C)C1CCCO1.
What is the InChIKey of 1-(oxolan-2-yl)-N-(2-pent-4-enoxyethyl)ethanamine?
The InChIKey is STDBZMSHEMNOCP-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H25NO2/c1-3-4-5-9-15-11-8-14-12(2)13-7-6-10-16-13/h3,12-14H,1,4-11H2,2H3.
What are the key properties of 1-(oxolan-2-yl)-N-(2-pent-4-enoxyethyl)ethanamine?
1-(oxolan-2-yl)-N-(2-pent-4-enoxyethyl)ethanamine has a molecular weight of 227.35 g/mol, XLogP of 2.13, 9 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(oxolan-2-yl)-N-(2-pent-4-enoxyethyl)ethanamine is sourced from PubChem (CID 79114284), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).