2-but-3-enoxy-N-(pyrrolidin-2-ylmethyl)ethanamine

C11H22N2O — CID 106397225

IUPAC2-but-3-enoxy-N-(pyrrolidin-2-ylmethyl)ethanamine
SMILESC=CCCOCCNCC1CCCN1
InChIInChI=1S/C11H22N2O/c1-2-3-8-14-9-7-12-10-11-5-4-6-13-11/h2,11-13H,1,3-10H2
InChIKeyJZUGHQWIOLCPLZ-UHFFFAOYSA-N
MW198.31 g/mol
LogP0.92
Rot. Bonds8

About 2-but-3-enoxy-N-(pyrrolidin-2-ylmethyl)ethanamine

2-but-3-enoxy-N-(pyrrolidin-2-ylmethyl)ethanamine (PubChem CID 106397225) has the molecular formula C11H22N2O and a molecular weight of 198.31 g/mol. Its IUPAC name is 2-but-3-enoxy-N-(pyrrolidin-2-ylmethyl)ethanamine.

Molecular Properties

Compound Name2-but-3-enoxy-N-(pyrrolidin-2-ylmethyl)ethanamine
PubChem CID106397225
Molecular FormulaC11H22N2O
Molecular Weight198.31 g/mol
Exact Mass198.17
IUPAC Name2-but-3-enoxy-N-(pyrrolidin-2-ylmethyl)ethanamine
SMILESC=CCCOCCNCC1CCCN1
InChIInChI=1S/C11H22N2O/c1-2-3-8-14-9-7-12-10-11-5-4-6-13-11/h2,11-13H,1,3-10H2
InChIKeyJZUGHQWIOLCPLZ-UHFFFAOYSA-N
XLogP0.92
TPSA33.29 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500198.31
LogP ≤ 50.92
H-Bond Donors ≤ 52
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-but-3-enoxy-N-(pyrrolidin-2-ylmethyl)ethanamine?
The IUPAC name of 2-but-3-enoxy-N-(pyrrolidin-2-ylmethyl)ethanamine (CID 106397225) is 2-but-3-enoxy-N-(pyrrolidin-2-ylmethyl)ethanamine.
What is the SMILES notation for 2-but-3-enoxy-N-(pyrrolidin-2-ylmethyl)ethanamine?
The canonical SMILES for 2-but-3-enoxy-N-(pyrrolidin-2-ylmethyl)ethanamine is C=CCCOCCNCC1CCCN1.
What is the InChIKey of 2-but-3-enoxy-N-(pyrrolidin-2-ylmethyl)ethanamine?
The InChIKey is JZUGHQWIOLCPLZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H22N2O/c1-2-3-8-14-9-7-12-10-11-5-4-6-13-11/h2,11-13H,1,3-10H2.
What are the key properties of 2-but-3-enoxy-N-(pyrrolidin-2-ylmethyl)ethanamine?
2-but-3-enoxy-N-(pyrrolidin-2-ylmethyl)ethanamine has a molecular weight of 198.31 g/mol, XLogP of 0.92, 8 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-but-3-enoxy-N-(pyrrolidin-2-ylmethyl)ethanamine is sourced from PubChem (CID 106397225), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).