N-(1,2,3,5,6,7,8,8a-octahydroindolizin-1-yl)-3-(ethylamino)propanamide

C13H25N3O — CID 62832914

IUPACN-(1,2,3,5,6,7,8,8a-octahydroindolizin-1-yl)-3-(ethylamino)propanamide
SMILESCCNCCC(=O)NC1CCN2CCCCC12
InChIInChI=1S/C13H25N3O/c1-2-14-8-6-13(17)15-11-7-10-16-9-4-3-5-12(11)16/h11-12,14H,2-10H2,1H3,(H,15,17)
InChIKeyKAXBTEQVIZSTMG-UHFFFAOYSA-N
MW239.36 g/mol
LogP0.73
Rot. Bonds5

About N-(1,2,3,5,6,7,8,8a-octahydroindolizin-1-yl)-3-(ethylamino)propanamide

N-(1,2,3,5,6,7,8,8a-octahydroindolizin-1-yl)-3-(ethylamino)propanamide (PubChem CID 62832914) has the molecular formula C13H25N3O and a molecular weight of 239.36 g/mol. Its IUPAC name is N-(1,2,3,5,6,7,8,8a-octahydroindolizin-1-yl)-3-(ethylamino)propanamide.

Molecular Properties

Compound NameN-(1,2,3,5,6,7,8,8a-octahydroindolizin-1-yl)-3-(ethylamino)propanamide
PubChem CID62832914
Molecular FormulaC13H25N3O
Molecular Weight239.36 g/mol
Exact Mass239.20
IUPAC NameN-(1,2,3,5,6,7,8,8a-octahydroindolizin-1-yl)-3-(ethylamino)propanamide
SMILESCCNCCC(=O)NC1CCN2CCCCC12
InChIInChI=1S/C13H25N3O/c1-2-14-8-6-13(17)15-11-7-10-16-9-4-3-5-12(11)16/h11-12,14H,2-10H2,1H3,(H,15,17)
InChIKeyKAXBTEQVIZSTMG-UHFFFAOYSA-N
XLogP0.73
TPSA44.37 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500239.36
LogP ≤ 50.73
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

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Frequently Asked Questions

What is the IUPAC name of N-(1,2,3,5,6,7,8,8a-octahydroindolizin-1-yl)-3-(ethylamino)propanamide?
The IUPAC name of N-(1,2,3,5,6,7,8,8a-octahydroindolizin-1-yl)-3-(ethylamino)propanamide (CID 62832914) is N-(1,2,3,5,6,7,8,8a-octahydroindolizin-1-yl)-3-(ethylamino)propanamide.
What is the SMILES notation for N-(1,2,3,5,6,7,8,8a-octahydroindolizin-1-yl)-3-(ethylamino)propanamide?
The canonical SMILES for N-(1,2,3,5,6,7,8,8a-octahydroindolizin-1-yl)-3-(ethylamino)propanamide is CCNCCC(=O)NC1CCN2CCCCC12.
What is the InChIKey of N-(1,2,3,5,6,7,8,8a-octahydroindolizin-1-yl)-3-(ethylamino)propanamide?
The InChIKey is KAXBTEQVIZSTMG-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H25N3O/c1-2-14-8-6-13(17)15-11-7-10-16-9-4-3-5-12(11)16/h11-12,14H,2-10H2,1H3,(H,15,17).
What are the key properties of N-(1,2,3,5,6,7,8,8a-octahydroindolizin-1-yl)-3-(ethylamino)propanamide?
N-(1,2,3,5,6,7,8,8a-octahydroindolizin-1-yl)-3-(ethylamino)propanamide has a molecular weight of 239.36 g/mol, XLogP of 0.73, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1,2,3,5,6,7,8,8a-octahydroindolizin-1-yl)-3-(ethylamino)propanamide is sourced from PubChem (CID 62832914), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).