N-(2-but-3-enoxyethyl)-1-(oxolan-2-yl)ethanamine

C12H23NO2 — CID 62598167

IUPACN-(2-but-3-enoxyethyl)-1-(oxolan-2-yl)ethanamine
SMILESC=CCCOCCNC(C)C1CCCO1
InChIInChI=1S/C12H23NO2/c1-3-4-8-14-10-7-13-11(2)12-6-5-9-15-12/h3,11-13H,1,4-10H2,2H3
InChIKeyDGKYBRDZIFIYAH-UHFFFAOYSA-N
MW213.32 g/mol
LogP1.74
Rot. Bonds8

About N-(2-but-3-enoxyethyl)-1-(oxolan-2-yl)ethanamine

N-(2-but-3-enoxyethyl)-1-(oxolan-2-yl)ethanamine (PubChem CID 62598167) has the molecular formula C12H23NO2 and a molecular weight of 213.32 g/mol. Its IUPAC name is N-(2-but-3-enoxyethyl)-1-(oxolan-2-yl)ethanamine.

Molecular Properties

Compound NameN-(2-but-3-enoxyethyl)-1-(oxolan-2-yl)ethanamine
PubChem CID62598167
Molecular FormulaC12H23NO2
Molecular Weight213.32 g/mol
Exact Mass213.17
IUPAC NameN-(2-but-3-enoxyethyl)-1-(oxolan-2-yl)ethanamine
SMILESC=CCCOCCNC(C)C1CCCO1
InChIInChI=1S/C12H23NO2/c1-3-4-8-14-10-7-13-11(2)12-6-5-9-15-12/h3,11-13H,1,4-10H2,2H3
InChIKeyDGKYBRDZIFIYAH-UHFFFAOYSA-N
XLogP1.74
TPSA30.49 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500213.32
LogP ≤ 51.74
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 N-(2-but-3-enoxyethyl)-1-(oxolan-2-yl)ethanamine?
The IUPAC name of N-(2-but-3-enoxyethyl)-1-(oxolan-2-yl)ethanamine (CID 62598167) is N-(2-but-3-enoxyethyl)-1-(oxolan-2-yl)ethanamine.
What is the SMILES notation for N-(2-but-3-enoxyethyl)-1-(oxolan-2-yl)ethanamine?
The canonical SMILES for N-(2-but-3-enoxyethyl)-1-(oxolan-2-yl)ethanamine is C=CCCOCCNC(C)C1CCCO1.
What is the InChIKey of N-(2-but-3-enoxyethyl)-1-(oxolan-2-yl)ethanamine?
The InChIKey is DGKYBRDZIFIYAH-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H23NO2/c1-3-4-8-14-10-7-13-11(2)12-6-5-9-15-12/h3,11-13H,1,4-10H2,2H3.
What are the key properties of N-(2-but-3-enoxyethyl)-1-(oxolan-2-yl)ethanamine?
N-(2-but-3-enoxyethyl)-1-(oxolan-2-yl)ethanamine has a molecular weight of 213.32 g/mol, XLogP of 1.74, 8 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-but-3-enoxyethyl)-1-(oxolan-2-yl)ethanamine is sourced from PubChem (CID 62598167), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).