N-(2-but-3-enoxyethyl)-1-pyrrolidin-2-ylpropan-2-amine

C13H26N2O — CID 106397299

IUPACN-(2-but-3-enoxyethyl)-1-pyrrolidin-2-ylpropan-2-amine
SMILESC=CCCOCCNC(C)CC1CCCN1
InChIInChI=1S/C13H26N2O/c1-3-4-9-16-10-8-14-12(2)11-13-6-5-7-15-13/h3,12-15H,1,4-11H2,2H3
InChIKeyGNYYUGJPTKIUQE-UHFFFAOYSA-N
MW226.36 g/mol
LogP1.70
Rot. Bonds9

About N-(2-but-3-enoxyethyl)-1-pyrrolidin-2-ylpropan-2-amine

N-(2-but-3-enoxyethyl)-1-pyrrolidin-2-ylpropan-2-amine (PubChem CID 106397299) has the molecular formula C13H26N2O and a molecular weight of 226.36 g/mol. Its IUPAC name is N-(2-but-3-enoxyethyl)-1-pyrrolidin-2-ylpropan-2-amine.

Molecular Properties

Compound NameN-(2-but-3-enoxyethyl)-1-pyrrolidin-2-ylpropan-2-amine
PubChem CID106397299
Molecular FormulaC13H26N2O
Molecular Weight226.36 g/mol
Exact Mass226.20
IUPAC NameN-(2-but-3-enoxyethyl)-1-pyrrolidin-2-ylpropan-2-amine
SMILESC=CCCOCCNC(C)CC1CCCN1
InChIInChI=1S/C13H26N2O/c1-3-4-9-16-10-8-14-12(2)11-13-6-5-7-15-13/h3,12-15H,1,4-11H2,2H3
InChIKeyGNYYUGJPTKIUQE-UHFFFAOYSA-N
XLogP1.70
TPSA33.29 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds9
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500226.36
LogP ≤ 51.70
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 N-(2-but-3-enoxyethyl)-1-pyrrolidin-2-ylpropan-2-amine?
The IUPAC name of N-(2-but-3-enoxyethyl)-1-pyrrolidin-2-ylpropan-2-amine (CID 106397299) is N-(2-but-3-enoxyethyl)-1-pyrrolidin-2-ylpropan-2-amine.
What is the SMILES notation for N-(2-but-3-enoxyethyl)-1-pyrrolidin-2-ylpropan-2-amine?
The canonical SMILES for N-(2-but-3-enoxyethyl)-1-pyrrolidin-2-ylpropan-2-amine is C=CCCOCCNC(C)CC1CCCN1.
What is the InChIKey of N-(2-but-3-enoxyethyl)-1-pyrrolidin-2-ylpropan-2-amine?
The InChIKey is GNYYUGJPTKIUQE-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H26N2O/c1-3-4-9-16-10-8-14-12(2)11-13-6-5-7-15-13/h3,12-15H,1,4-11H2,2H3.
What are the key properties of N-(2-but-3-enoxyethyl)-1-pyrrolidin-2-ylpropan-2-amine?
N-(2-but-3-enoxyethyl)-1-pyrrolidin-2-ylpropan-2-amine has a molecular weight of 226.36 g/mol, XLogP of 1.70, 9 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-but-3-enoxyethyl)-1-pyrrolidin-2-ylpropan-2-amine is sourced from PubChem (CID 106397299), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).