N-(2-but-3-enoxyethyl)-1,2,3,5,6,7,8,8a-octahydroindolizin-1-amine

C14H26N2O — CID 114183602

IUPACN-(2-but-3-enoxyethyl)-1,2,3,5,6,7,8,8a-octahydroindolizin-1-amine
SMILESC=CCCOCCNC1CCN2CCCCC12
InChIInChI=1S/C14H26N2O/c1-2-3-11-17-12-8-15-13-7-10-16-9-5-4-6-14(13)16/h2,13-15H,1,3-12H2
InChIKeySEBWMPAWPFUOLQ-UHFFFAOYSA-N
MW238.37 g/mol
LogP1.80
Rot. Bonds7

About N-(2-but-3-enoxyethyl)-1,2,3,5,6,7,8,8a-octahydroindolizin-1-amine

N-(2-but-3-enoxyethyl)-1,2,3,5,6,7,8,8a-octahydroindolizin-1-amine (PubChem CID 114183602) has the molecular formula C14H26N2O and a molecular weight of 238.37 g/mol. Its IUPAC name is N-(2-but-3-enoxyethyl)-1,2,3,5,6,7,8,8a-octahydroindolizin-1-amine.

Molecular Properties

Compound NameN-(2-but-3-enoxyethyl)-1,2,3,5,6,7,8,8a-octahydroindolizin-1-amine
PubChem CID114183602
Molecular FormulaC14H26N2O
Molecular Weight238.37 g/mol
Exact Mass238.20
IUPAC NameN-(2-but-3-enoxyethyl)-1,2,3,5,6,7,8,8a-octahydroindolizin-1-amine
SMILESC=CCCOCCNC1CCN2CCCCC12
InChIInChI=1S/C14H26N2O/c1-2-3-11-17-12-8-15-13-7-10-16-9-5-4-6-14(13)16/h2,13-15H,1,3-12H2
InChIKeySEBWMPAWPFUOLQ-UHFFFAOYSA-N
XLogP1.80
TPSA24.50 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500238.37
LogP ≤ 51.80
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)-1,2,3,5,6,7,8,8a-octahydroindolizin-1-amine?
The IUPAC name of N-(2-but-3-enoxyethyl)-1,2,3,5,6,7,8,8a-octahydroindolizin-1-amine (CID 114183602) is N-(2-but-3-enoxyethyl)-1,2,3,5,6,7,8,8a-octahydroindolizin-1-amine.
What is the SMILES notation for N-(2-but-3-enoxyethyl)-1,2,3,5,6,7,8,8a-octahydroindolizin-1-amine?
The canonical SMILES for N-(2-but-3-enoxyethyl)-1,2,3,5,6,7,8,8a-octahydroindolizin-1-amine is C=CCCOCCNC1CCN2CCCCC12.
What is the InChIKey of N-(2-but-3-enoxyethyl)-1,2,3,5,6,7,8,8a-octahydroindolizin-1-amine?
The InChIKey is SEBWMPAWPFUOLQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H26N2O/c1-2-3-11-17-12-8-15-13-7-10-16-9-5-4-6-14(13)16/h2,13-15H,1,3-12H2.
What are the key properties of N-(2-but-3-enoxyethyl)-1,2,3,5,6,7,8,8a-octahydroindolizin-1-amine?
N-(2-but-3-enoxyethyl)-1,2,3,5,6,7,8,8a-octahydroindolizin-1-amine has a molecular weight of 238.37 g/mol, XLogP of 1.80, 7 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)-1,2,3,5,6,7,8,8a-octahydroindolizin-1-amine is sourced from PubChem (CID 114183602), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).