3-(2-methoxyethylamino)-1-(4-methyl-3,6-dihydro-2H-pyridin-1-yl)propan-1-one

C12H22N2O2 — CID 71286421

IUPAC3-(2-methoxyethylamino)-1-(4-methyl-3,6-dihydro-2H-pyridin-1-yl)propan-1-one
SMILESCOCCNCCC(=O)N1CC=C(C)CC1
InChIInChI=1S/C12H22N2O2/c1-11-4-8-14(9-5-11)12(15)3-6-13-7-10-16-2/h4,13H,3,5-10H2,1-2H3
InChIKeyQQNHVPIVQRSIMG-UHFFFAOYSA-N
MW226.32 g/mol
LogP0.79
Rot. Bonds6

About 3-(2-methoxyethylamino)-1-(4-methyl-3,6-dihydro-2H-pyridin-1-yl)propan-1-one

3-(2-methoxyethylamino)-1-(4-methyl-3,6-dihydro-2H-pyridin-1-yl)propan-1-one (PubChem CID 71286421) has the molecular formula C12H22N2O2 and a molecular weight of 226.32 g/mol. Its IUPAC name is 3-(2-methoxyethylamino)-1-(4-methyl-3,6-dihydro-2H-pyridin-1-yl)propan-1-one.

Molecular Properties

Compound Name3-(2-methoxyethylamino)-1-(4-methyl-3,6-dihydro-2H-pyridin-1-yl)propan-1-one
PubChem CID71286421
Molecular FormulaC12H22N2O2
Molecular Weight226.32 g/mol
Exact Mass226.17
IUPAC Name3-(2-methoxyethylamino)-1-(4-methyl-3,6-dihydro-2H-pyridin-1-yl)propan-1-one
SMILESCOCCNCCC(=O)N1CC=C(C)CC1
InChIInChI=1S/C12H22N2O2/c1-11-4-8-14(9-5-11)12(15)3-6-13-7-10-16-2/h4,13H,3,5-10H2,1-2H3
InChIKeyQQNHVPIVQRSIMG-UHFFFAOYSA-N
XLogP0.79
TPSA41.57 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500226.32
LogP ≤ 50.79
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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Related Compounds

N-(3-methoxypropyl)-1-methyl-3,6-dihydro-2H-pyridine-5-carboxamide
CID 293532
1-(4-methyl-3,6-dihydro-2H-pyridin-1-yl)-3-(propylamino)propan-1-one
CID 71286356
3-(methylamino)-1-(4-methyl-3,6-dihydro-2H-pyridin-1-yl)propan-1-one
CID 114409380
5-[(2-Methoxyethylamino)methyl]-1-methyl-2-oxopyridine-3-carboxamide
CID 176972469
ethane;3-(methylamino)-1-(4-methyl-3,6-dihydro-2H-pyridin-1-yl)propan-1-one
CID 177317326
2-methoxy-N-[(1-pent-2-yn-1-yl-1,2,5,6-tetrahydropyridin-3-yl)methyl]acetamide
CID 50959580
N-{[1-(2-ethoxyethyl)-1,2,3,6-tetrahydropyridin-4-yl]methyl}-N-ethylacetamide
CID 50967761
2-methoxy-N-[(1-pent-2-yn-1-yl-1,2,3,6-tetrahydropyridin-4-yl)methyl]acetamide
CID 50972729
(Z)-N,2-dimethyl-N-(morpholin-2-ylmethyl)pent-2-enamide
CID 81686324
(Z)-2-methyl-1-[2-(methylaminomethyl)morpholin-4-yl]pent-2-en-1-one
CID 81688214
N-(2-aminoethyl)-3-(4-methyl-3,6-dihydro-2H-pyridin-1-yl)propanamide
CID 82364123
3-[(2-Methoxyethylamino)methyl]-1-(3-methoxypropyl)-4,6-dimethylpyridin-2-one
CID 82525641

Frequently Asked Questions

What is the IUPAC name of 3-(2-methoxyethylamino)-1-(4-methyl-3,6-dihydro-2H-pyridin-1-yl)propan-1-one?
The IUPAC name of 3-(2-methoxyethylamino)-1-(4-methyl-3,6-dihydro-2H-pyridin-1-yl)propan-1-one (CID 71286421) is 3-(2-methoxyethylamino)-1-(4-methyl-3,6-dihydro-2H-pyridin-1-yl)propan-1-one.
What is the SMILES notation for 3-(2-methoxyethylamino)-1-(4-methyl-3,6-dihydro-2H-pyridin-1-yl)propan-1-one?
The canonical SMILES for 3-(2-methoxyethylamino)-1-(4-methyl-3,6-dihydro-2H-pyridin-1-yl)propan-1-one is COCCNCCC(=O)N1CC=C(C)CC1.
What is the InChIKey of 3-(2-methoxyethylamino)-1-(4-methyl-3,6-dihydro-2H-pyridin-1-yl)propan-1-one?
The InChIKey is QQNHVPIVQRSIMG-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H22N2O2/c1-11-4-8-14(9-5-11)12(15)3-6-13-7-10-16-2/h4,13H,3,5-10H2,1-2H3.
What are the key properties of 3-(2-methoxyethylamino)-1-(4-methyl-3,6-dihydro-2H-pyridin-1-yl)propan-1-one?
3-(2-methoxyethylamino)-1-(4-methyl-3,6-dihydro-2H-pyridin-1-yl)propan-1-one has a molecular weight of 226.32 g/mol, XLogP of 0.79, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2-methoxyethylamino)-1-(4-methyl-3,6-dihydro-2H-pyridin-1-yl)propan-1-one is sourced from PubChem (CID 71286421), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).