(E)-N-(2-methoxyethyl)-3-(oxolan-2-yl)prop-2-en-1-amine

C10H19NO2 — CID 82837943

IUPAC(E)-N-(2-methoxyethyl)-3-(oxolan-2-yl)prop-2-en-1-amine
SMILESCOCCNC/C=C/C1CCCO1
InChIInChI=1S/C10H19NO2/c1-12-9-7-11-6-2-4-10-5-3-8-13-10/h2,4,10-11H,3,5-9H2,1H3/b4-2+
InChIKeyCGRABFYPGWLWTP-DUXPYHPUSA-N
MW185.27 g/mol
LogP0.96
Rot. Bonds6

About (E)-N-(2-methoxyethyl)-3-(oxolan-2-yl)prop-2-en-1-amine

(E)-N-(2-methoxyethyl)-3-(oxolan-2-yl)prop-2-en-1-amine (PubChem CID 82837943) has the molecular formula C10H19NO2 and a molecular weight of 185.27 g/mol. Its IUPAC name is (E)-N-(2-methoxyethyl)-3-(oxolan-2-yl)prop-2-en-1-amine.

Molecular Properties

Compound Name(E)-N-(2-methoxyethyl)-3-(oxolan-2-yl)prop-2-en-1-amine
PubChem CID82837943
Molecular FormulaC10H19NO2
Molecular Weight185.27 g/mol
Exact Mass185.14
IUPAC Name(E)-N-(2-methoxyethyl)-3-(oxolan-2-yl)prop-2-en-1-amine
SMILESCOCCNC/C=C/C1CCCO1
InChIInChI=1S/C10H19NO2/c1-12-9-7-11-6-2-4-10-5-3-8-13-10/h2,4,10-11H,3,5-9H2,1H3/b4-2+
InChIKeyCGRABFYPGWLWTP-DUXPYHPUSA-N
XLogP0.96
TPSA30.49 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500185.27
LogP ≤ 50.96
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 (E)-N-(2-methoxyethyl)-3-(oxolan-2-yl)prop-2-en-1-amine?
The IUPAC name of (E)-N-(2-methoxyethyl)-3-(oxolan-2-yl)prop-2-en-1-amine (CID 82837943) is (E)-N-(2-methoxyethyl)-3-(oxolan-2-yl)prop-2-en-1-amine.
What is the SMILES notation for (E)-N-(2-methoxyethyl)-3-(oxolan-2-yl)prop-2-en-1-amine?
The canonical SMILES for (E)-N-(2-methoxyethyl)-3-(oxolan-2-yl)prop-2-en-1-amine is COCCNC/C=C/C1CCCO1.
What is the InChIKey of (E)-N-(2-methoxyethyl)-3-(oxolan-2-yl)prop-2-en-1-amine?
The InChIKey is CGRABFYPGWLWTP-DUXPYHPUSA-N. The full InChI is InChI=1S/C10H19NO2/c1-12-9-7-11-6-2-4-10-5-3-8-13-10/h2,4,10-11H,3,5-9H2,1H3/b4-2+.
What are the key properties of (E)-N-(2-methoxyethyl)-3-(oxolan-2-yl)prop-2-en-1-amine?
(E)-N-(2-methoxyethyl)-3-(oxolan-2-yl)prop-2-en-1-amine has a molecular weight of 185.27 g/mol, XLogP of 0.96, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-N-(2-methoxyethyl)-3-(oxolan-2-yl)prop-2-en-1-amine is sourced from PubChem (CID 82837943), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).