N-(2-but-3-enoxyethyl)-2-pyrrolidin-1-ylethanamine

C12H24N2O — CID 106401814

IUPACN-(2-but-3-enoxyethyl)-2-pyrrolidin-1-ylethanamine
SMILESC=CCCOCCNCCN1CCCC1
InChIInChI=1S/C12H24N2O/c1-2-3-11-15-12-7-13-6-10-14-8-4-5-9-14/h2,13H,1,3-12H2
InChIKeyUBHAHTWQXCXOOS-UHFFFAOYSA-N
MW212.34 g/mol
LogP1.26
Rot. Bonds9

About N-(2-but-3-enoxyethyl)-2-pyrrolidin-1-ylethanamine

N-(2-but-3-enoxyethyl)-2-pyrrolidin-1-ylethanamine (PubChem CID 106401814) has the molecular formula C12H24N2O and a molecular weight of 212.34 g/mol. Its IUPAC name is N-(2-but-3-enoxyethyl)-2-pyrrolidin-1-ylethanamine.

Molecular Properties

Compound NameN-(2-but-3-enoxyethyl)-2-pyrrolidin-1-ylethanamine
PubChem CID106401814
Molecular FormulaC12H24N2O
Molecular Weight212.34 g/mol
Exact Mass212.19
IUPAC NameN-(2-but-3-enoxyethyl)-2-pyrrolidin-1-ylethanamine
SMILESC=CCCOCCNCCN1CCCC1
InChIInChI=1S/C12H24N2O/c1-2-3-11-15-12-7-13-6-10-14-8-4-5-9-14/h2,13H,1,3-12H2
InChIKeyUBHAHTWQXCXOOS-UHFFFAOYSA-N
XLogP1.26
TPSA24.50 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds9
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500212.34
LogP ≤ 51.26
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)-2-pyrrolidin-1-ylethanamine?
The IUPAC name of N-(2-but-3-enoxyethyl)-2-pyrrolidin-1-ylethanamine (CID 106401814) is N-(2-but-3-enoxyethyl)-2-pyrrolidin-1-ylethanamine.
What is the SMILES notation for N-(2-but-3-enoxyethyl)-2-pyrrolidin-1-ylethanamine?
The canonical SMILES for N-(2-but-3-enoxyethyl)-2-pyrrolidin-1-ylethanamine is C=CCCOCCNCCN1CCCC1.
What is the InChIKey of N-(2-but-3-enoxyethyl)-2-pyrrolidin-1-ylethanamine?
The InChIKey is UBHAHTWQXCXOOS-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H24N2O/c1-2-3-11-15-12-7-13-6-10-14-8-4-5-9-14/h2,13H,1,3-12H2.
What are the key properties of N-(2-but-3-enoxyethyl)-2-pyrrolidin-1-ylethanamine?
N-(2-but-3-enoxyethyl)-2-pyrrolidin-1-ylethanamine has a molecular weight of 212.34 g/mol, XLogP of 1.26, 9 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)-2-pyrrolidin-1-ylethanamine is sourced from PubChem (CID 106401814), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).