2-(2-aminoethoxy)-1-(5-methyl-3,6-dihydro-2H-pyridin-1-yl)ethanone

C10H18N2O2 — CID 106313667

IUPAC2-(2-aminoethoxy)-1-(5-methyl-3,6-dihydro-2H-pyridin-1-yl)ethanone
SMILESCC1=CCCN(C(=O)COCCN)C1
InChIInChI=1S/C10H18N2O2/c1-9-3-2-5-12(7-9)10(13)8-14-6-4-11/h3H,2,4-8,11H2,1H3
InChIKeyUNEHUUYDRSJGMC-UHFFFAOYSA-N
MW198.27 g/mol
LogP0.14
Rot. Bonds4

About 2-(2-aminoethoxy)-1-(5-methyl-3,6-dihydro-2H-pyridin-1-yl)ethanone

2-(2-aminoethoxy)-1-(5-methyl-3,6-dihydro-2H-pyridin-1-yl)ethanone (PubChem CID 106313667) has the molecular formula C10H18N2O2 and a molecular weight of 198.27 g/mol. Its IUPAC name is 2-(2-aminoethoxy)-1-(5-methyl-3,6-dihydro-2H-pyridin-1-yl)ethanone.

Molecular Properties

Compound Name2-(2-aminoethoxy)-1-(5-methyl-3,6-dihydro-2H-pyridin-1-yl)ethanone
PubChem CID106313667
Molecular FormulaC10H18N2O2
Molecular Weight198.27 g/mol
Exact Mass198.14
IUPAC Name2-(2-aminoethoxy)-1-(5-methyl-3,6-dihydro-2H-pyridin-1-yl)ethanone
SMILESCC1=CCCN(C(=O)COCCN)C1
InChIInChI=1S/C10H18N2O2/c1-9-3-2-5-12(7-9)10(13)8-14-6-4-11/h3H,2,4-8,11H2,1H3
InChIKeyUNEHUUYDRSJGMC-UHFFFAOYSA-N
XLogP0.14
TPSA55.56 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500198.27
LogP ≤ 50.14
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 2-(2-aminoethoxy)-1-(5-methyl-3,6-dihydro-2H-pyridin-1-yl)ethanone?
The IUPAC name of 2-(2-aminoethoxy)-1-(5-methyl-3,6-dihydro-2H-pyridin-1-yl)ethanone (CID 106313667) is 2-(2-aminoethoxy)-1-(5-methyl-3,6-dihydro-2H-pyridin-1-yl)ethanone.
What is the SMILES notation for 2-(2-aminoethoxy)-1-(5-methyl-3,6-dihydro-2H-pyridin-1-yl)ethanone?
The canonical SMILES for 2-(2-aminoethoxy)-1-(5-methyl-3,6-dihydro-2H-pyridin-1-yl)ethanone is CC1=CCCN(C(=O)COCCN)C1.
What is the InChIKey of 2-(2-aminoethoxy)-1-(5-methyl-3,6-dihydro-2H-pyridin-1-yl)ethanone?
The InChIKey is UNEHUUYDRSJGMC-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H18N2O2/c1-9-3-2-5-12(7-9)10(13)8-14-6-4-11/h3H,2,4-8,11H2,1H3.
What are the key properties of 2-(2-aminoethoxy)-1-(5-methyl-3,6-dihydro-2H-pyridin-1-yl)ethanone?
2-(2-aminoethoxy)-1-(5-methyl-3,6-dihydro-2H-pyridin-1-yl)ethanone has a molecular weight of 198.27 g/mol, XLogP of 0.14, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-aminoethoxy)-1-(5-methyl-3,6-dihydro-2H-pyridin-1-yl)ethanone is sourced from PubChem (CID 106313667), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).