3-(1,2,3,5,6,7,8,8a-octahydroindolizin-7-ylamino)-N-(2-methoxyethyl)propanamide

C14H27N3O2 — CID 115765451

IUPAC3-(1,2,3,5,6,7,8,8a-octahydroindolizin-7-ylamino)-N-(2-methoxyethyl)propanamide
SMILESCOCCNC(=O)CCNC1CCN2CCCC2C1
InChIInChI=1S/C14H27N3O2/c1-19-10-7-16-14(18)4-6-15-12-5-9-17-8-2-3-13(17)11-12/h12-13,15H,2-11H2,1H3,(H,16,18)
InChIKeyLJRAOVOQTBYQKT-UHFFFAOYSA-N
MW269.39 g/mol
LogP0.36
Rot. Bonds7

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

3-(1,2,3,5,6,7,8,8a-octahydroindolizin-7-ylamino)-N-(2-methoxyethyl)propanamide (PubChem CID 115765451) has the molecular formula C14H27N3O2 and a molecular weight of 269.39 g/mol. Its IUPAC name is 3-(1,2,3,5,6,7,8,8a-octahydroindolizin-7-ylamino)-N-(2-methoxyethyl)propanamide.

Molecular Properties

Compound Name3-(1,2,3,5,6,7,8,8a-octahydroindolizin-7-ylamino)-N-(2-methoxyethyl)propanamide
PubChem CID115765451
Molecular FormulaC14H27N3O2
Molecular Weight269.39 g/mol
Exact Mass269.21
IUPAC Name3-(1,2,3,5,6,7,8,8a-octahydroindolizin-7-ylamino)-N-(2-methoxyethyl)propanamide
SMILESCOCCNC(=O)CCNC1CCN2CCCC2C1
InChIInChI=1S/C14H27N3O2/c1-19-10-7-16-14(18)4-6-15-12-5-9-17-8-2-3-13(17)11-12/h12-13,15H,2-11H2,1H3,(H,16,18)
InChIKeyLJRAOVOQTBYQKT-UHFFFAOYSA-N
XLogP0.36
TPSA53.60 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500269.39
LogP ≤ 50.36
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

3-[(1,2-dimethylpiperidin-4-yl)amino]-N-(2-methoxyethyl)propanamide
CID 112700219
N-[2-[2-(2-methoxyethoxy)ethoxy]ethyl]-1,2,3,5,6,7,8,8a-octahydroindolizin-7-amine
CID 104562707
N-(1,2,3,5,6,7,8,8a-octahydroindolizin-7-yl)-2-(2-methoxyethylamino)acetamide;dihydrochloride
CID 119854359
N-(2-methoxyethyl)-3-[(3-methylcyclopentyl)amino]propanamide
CID 115652663
N-(1-cyclopentylpiperidin-4-yl)-2-(2-methoxyethylamino)acetamide
CID 119846699
N-(2-methoxyethyl)-2-[(9-methyl-9-azabicyclo[3.3.1]nonan-3-yl)amino]acetamide
CID 65471257
N-[2-(2-methylprop-2-enoxy)ethyl]-1,2,3,5,6,7,8,8a-octahydroindolizin-7-amine
CID 115894020
N-(3-methoxy-3-methylbutyl)-1,2,3,5,6,7,8,8a-octahydroindolizin-7-amine
CID 103033505
3-(cycloheptylamino)-N-(3-methoxypropyl)propanamide
CID 109015383
3-(2,3-dihydro-1H-inden-2-ylamino)-N-(2-methoxyethyl)propanamide
CID 115711983
N-(2-methoxyethyl)-2-(4-piperidin-1-ylpiperidin-1-yl)acetamide;oxalic acid
CID 171700198
(7R,8aR)-N-[2-(3-methylbutoxy)ethyl]-1,2,3,5,6,7,8,8a-octahydroindolizin-7-amine
CID 97236856

Frequently Asked Questions

What is the IUPAC name of 3-(1,2,3,5,6,7,8,8a-octahydroindolizin-7-ylamino)-N-(2-methoxyethyl)propanamide?
The IUPAC name of 3-(1,2,3,5,6,7,8,8a-octahydroindolizin-7-ylamino)-N-(2-methoxyethyl)propanamide (CID 115765451) is 3-(1,2,3,5,6,7,8,8a-octahydroindolizin-7-ylamino)-N-(2-methoxyethyl)propanamide.
What is the SMILES notation for 3-(1,2,3,5,6,7,8,8a-octahydroindolizin-7-ylamino)-N-(2-methoxyethyl)propanamide?
The canonical SMILES for 3-(1,2,3,5,6,7,8,8a-octahydroindolizin-7-ylamino)-N-(2-methoxyethyl)propanamide is COCCNC(=O)CCNC1CCN2CCCC2C1.
What is the InChIKey of 3-(1,2,3,5,6,7,8,8a-octahydroindolizin-7-ylamino)-N-(2-methoxyethyl)propanamide?
The InChIKey is LJRAOVOQTBYQKT-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H27N3O2/c1-19-10-7-16-14(18)4-6-15-12-5-9-17-8-2-3-13(17)11-12/h12-13,15H,2-11H2,1H3,(H,16,18).
What are the key properties of 3-(1,2,3,5,6,7,8,8a-octahydroindolizin-7-ylamino)-N-(2-methoxyethyl)propanamide?
3-(1,2,3,5,6,7,8,8a-octahydroindolizin-7-ylamino)-N-(2-methoxyethyl)propanamide has a molecular weight of 269.39 g/mol, XLogP of 0.36, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(1,2,3,5,6,7,8,8a-octahydroindolizin-7-ylamino)-N-(2-methoxyethyl)propanamide is sourced from PubChem (CID 115765451), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).