1-(2-but-3-enoxyethyl)-N-propylpyrrolidin-3-amine

C13H26N2O — CID 106402287

IUPAC1-(2-but-3-enoxyethyl)-N-propylpyrrolidin-3-amine
SMILESC=CCCOCCN1CCC(NCCC)C1
InChIInChI=1S/C13H26N2O/c1-3-5-10-16-11-9-15-8-6-13(12-15)14-7-4-2/h3,13-14H,1,4-12H2,2H3
InChIKeyPCTYXDVDNCCYPR-UHFFFAOYSA-N
MW226.36 g/mol
LogP1.65
Rot. Bonds9

About 1-(2-but-3-enoxyethyl)-N-propylpyrrolidin-3-amine

1-(2-but-3-enoxyethyl)-N-propylpyrrolidin-3-amine (PubChem CID 106402287) has the molecular formula C13H26N2O and a molecular weight of 226.36 g/mol. Its IUPAC name is 1-(2-but-3-enoxyethyl)-N-propylpyrrolidin-3-amine.

Molecular Properties

Compound Name1-(2-but-3-enoxyethyl)-N-propylpyrrolidin-3-amine
PubChem CID106402287
Molecular FormulaC13H26N2O
Molecular Weight226.36 g/mol
Exact Mass226.20
IUPAC Name1-(2-but-3-enoxyethyl)-N-propylpyrrolidin-3-amine
SMILESC=CCCOCCN1CCC(NCCC)C1
InChIInChI=1S/C13H26N2O/c1-3-5-10-16-11-9-15-8-6-13(12-15)14-7-4-2/h3,13-14H,1,4-12H2,2H3
InChIKeyPCTYXDVDNCCYPR-UHFFFAOYSA-N
XLogP1.65
TPSA24.50 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds9
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500226.36
LogP ≤ 51.65
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-(2-but-3-enoxyethyl)-N-propylpyrrolidin-3-amine?
The IUPAC name of 1-(2-but-3-enoxyethyl)-N-propylpyrrolidin-3-amine (CID 106402287) is 1-(2-but-3-enoxyethyl)-N-propylpyrrolidin-3-amine.
What is the SMILES notation for 1-(2-but-3-enoxyethyl)-N-propylpyrrolidin-3-amine?
The canonical SMILES for 1-(2-but-3-enoxyethyl)-N-propylpyrrolidin-3-amine is C=CCCOCCN1CCC(NCCC)C1.
What is the InChIKey of 1-(2-but-3-enoxyethyl)-N-propylpyrrolidin-3-amine?
The InChIKey is PCTYXDVDNCCYPR-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H26N2O/c1-3-5-10-16-11-9-15-8-6-13(12-15)14-7-4-2/h3,13-14H,1,4-12H2,2H3.
What are the key properties of 1-(2-but-3-enoxyethyl)-N-propylpyrrolidin-3-amine?
1-(2-but-3-enoxyethyl)-N-propylpyrrolidin-3-amine has a molecular weight of 226.36 g/mol, XLogP of 1.65, 9 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-but-3-enoxyethyl)-N-propylpyrrolidin-3-amine is sourced from PubChem (CID 106402287), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).