2-(ethylamino)-1-[4-(methoxymethyl)-3,6-dihydro-2H-pyridin-1-yl]ethanone

C11H20N2O2 — CID 114409893

IUPAC2-(ethylamino)-1-[4-(methoxymethyl)-3,6-dihydro-2H-pyridin-1-yl]ethanone
SMILESCCNCC(=O)N1CC=C(COC)CC1
InChIInChI=1S/C11H20N2O2/c1-3-12-8-11(14)13-6-4-10(5-7-13)9-15-2/h4,12H,3,5-9H2,1-2H3
InChIKeyULKWHBNYGCQGEX-UHFFFAOYSA-N
MW212.29 g/mol
LogP0.40
Rot. Bonds5

About 2-(ethylamino)-1-[4-(methoxymethyl)-3,6-dihydro-2H-pyridin-1-yl]ethanone

2-(ethylamino)-1-[4-(methoxymethyl)-3,6-dihydro-2H-pyridin-1-yl]ethanone (PubChem CID 114409893) has the molecular formula C11H20N2O2 and a molecular weight of 212.29 g/mol. Its IUPAC name is 2-(ethylamino)-1-[4-(methoxymethyl)-3,6-dihydro-2H-pyridin-1-yl]ethanone.

Molecular Properties

Compound Name2-(ethylamino)-1-[4-(methoxymethyl)-3,6-dihydro-2H-pyridin-1-yl]ethanone
PubChem CID114409893
Molecular FormulaC11H20N2O2
Molecular Weight212.29 g/mol
Exact Mass212.15
IUPAC Name2-(ethylamino)-1-[4-(methoxymethyl)-3,6-dihydro-2H-pyridin-1-yl]ethanone
SMILESCCNCC(=O)N1CC=C(COC)CC1
InChIInChI=1S/C11H20N2O2/c1-3-12-8-11(14)13-6-4-10(5-7-13)9-15-2/h4,12H,3,5-9H2,1-2H3
InChIKeyULKWHBNYGCQGEX-UHFFFAOYSA-N
XLogP0.40
TPSA41.57 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500212.29
LogP ≤ 50.40
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

2-amino-3,3,3-trifluoro-1-[4-(methoxymethyl)-3,6-dihydro-2H-pyridin-1-yl]-2-methylpropan-1-one
CID 113581445
1-[4-(methoxymethyl)-3,6-dihydro-2H-pyridin-1-yl]-2-(2,2,2-trifluoroethylamino)ethanone
CID 114409782
N-(3,6-dihydro-2H-pyran-4-ylmethyl)-2-methylpropanamide
CID 58548429
N-(3,6-dihydro-2H-pyran-4-ylmethyl)acetamide
CID 70641338
(2R)-2-amino-1-[4-(methoxymethyl)-3,6-dihydro-2H-pyridin-1-yl]-3,3-dimethylbutan-1-one
CID 104921251
(2S)-2-amino-1-[4-(methoxymethyl)-3,6-dihydro-2H-pyridin-1-yl]-3-methylbutan-1-one
CID 104921252
(2R)-2-amino-1-[4-(methoxymethyl)-3,6-dihydro-2H-pyridin-1-yl]propan-1-one
CID 104921258
(2R)-2-amino-1-[4-(methoxymethyl)-3,6-dihydro-2H-pyridin-1-yl]-3-methylbutan-1-one
CID 104921259
(2R)-2-amino-1-[4-(methoxymethyl)-3,6-dihydro-2H-pyridin-1-yl]butan-1-one
CID 104921263
(2S)-2-amino-N-[2-[4-(methoxymethyl)-3,6-dihydro-2H-pyridin-1-yl]-2-oxoethyl]-3-methylbutanamide
CID 104921264
(2S)-2-amino-1-[4-(methoxymethyl)-3,6-dihydro-2H-pyridin-1-yl]-3,3-dimethylbutan-1-one
CID 104921266
(2S)-2-amino-1-[4-(methoxymethyl)-3,6-dihydro-2H-pyridin-1-yl]propan-1-one
CID 104921267

Frequently Asked Questions

What is the IUPAC name of 2-(ethylamino)-1-[4-(methoxymethyl)-3,6-dihydro-2H-pyridin-1-yl]ethanone?
The IUPAC name of 2-(ethylamino)-1-[4-(methoxymethyl)-3,6-dihydro-2H-pyridin-1-yl]ethanone (CID 114409893) is 2-(ethylamino)-1-[4-(methoxymethyl)-3,6-dihydro-2H-pyridin-1-yl]ethanone.
What is the SMILES notation for 2-(ethylamino)-1-[4-(methoxymethyl)-3,6-dihydro-2H-pyridin-1-yl]ethanone?
The canonical SMILES for 2-(ethylamino)-1-[4-(methoxymethyl)-3,6-dihydro-2H-pyridin-1-yl]ethanone is CCNCC(=O)N1CC=C(COC)CC1.
What is the InChIKey of 2-(ethylamino)-1-[4-(methoxymethyl)-3,6-dihydro-2H-pyridin-1-yl]ethanone?
The InChIKey is ULKWHBNYGCQGEX-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H20N2O2/c1-3-12-8-11(14)13-6-4-10(5-7-13)9-15-2/h4,12H,3,5-9H2,1-2H3.
What are the key properties of 2-(ethylamino)-1-[4-(methoxymethyl)-3,6-dihydro-2H-pyridin-1-yl]ethanone?
2-(ethylamino)-1-[4-(methoxymethyl)-3,6-dihydro-2H-pyridin-1-yl]ethanone has a molecular weight of 212.29 g/mol, XLogP of 0.40, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(ethylamino)-1-[4-(methoxymethyl)-3,6-dihydro-2H-pyridin-1-yl]ethanone is sourced from PubChem (CID 114409893), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).