1-[4-(methoxymethyl)-3,6-dihydro-2H-pyridin-1-yl]-3-(methylamino)propan-1-one

C11H20N2O2 — CID 114409816

IUPAC1-[4-(methoxymethyl)-3,6-dihydro-2H-pyridin-1-yl]-3-(methylamino)propan-1-one
SMILESCNCCC(=O)N1CC=C(COC)CC1
InChIInChI=1S/C11H20N2O2/c1-12-6-3-11(14)13-7-4-10(5-8-13)9-15-2/h4,12H,3,5-9H2,1-2H3
InChIKeyDXICVMZGMUPXFB-UHFFFAOYSA-N
MW212.29 g/mol
LogP0.40
Rot. Bonds5

About 1-[4-(methoxymethyl)-3,6-dihydro-2H-pyridin-1-yl]-3-(methylamino)propan-1-one

1-[4-(methoxymethyl)-3,6-dihydro-2H-pyridin-1-yl]-3-(methylamino)propan-1-one (PubChem CID 114409816) has the molecular formula C11H20N2O2 and a molecular weight of 212.29 g/mol. Its IUPAC name is 1-[4-(methoxymethyl)-3,6-dihydro-2H-pyridin-1-yl]-3-(methylamino)propan-1-one.

Molecular Properties

Compound Name1-[4-(methoxymethyl)-3,6-dihydro-2H-pyridin-1-yl]-3-(methylamino)propan-1-one
PubChem CID114409816
Molecular FormulaC11H20N2O2
Molecular Weight212.29 g/mol
Exact Mass212.15
IUPAC Name1-[4-(methoxymethyl)-3,6-dihydro-2H-pyridin-1-yl]-3-(methylamino)propan-1-one
SMILESCNCCC(=O)N1CC=C(COC)CC1
InChIInChI=1S/C11H20N2O2/c1-12-6-3-11(14)13-7-4-10(5-8-13)9-15-2/h4,12H,3,5-9H2,1-2H3
InChIKeyDXICVMZGMUPXFB-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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Frequently Asked Questions

What is the IUPAC name of 1-[4-(methoxymethyl)-3,6-dihydro-2H-pyridin-1-yl]-3-(methylamino)propan-1-one?
The IUPAC name of 1-[4-(methoxymethyl)-3,6-dihydro-2H-pyridin-1-yl]-3-(methylamino)propan-1-one (CID 114409816) is 1-[4-(methoxymethyl)-3,6-dihydro-2H-pyridin-1-yl]-3-(methylamino)propan-1-one.
What is the SMILES notation for 1-[4-(methoxymethyl)-3,6-dihydro-2H-pyridin-1-yl]-3-(methylamino)propan-1-one?
The canonical SMILES for 1-[4-(methoxymethyl)-3,6-dihydro-2H-pyridin-1-yl]-3-(methylamino)propan-1-one is CNCCC(=O)N1CC=C(COC)CC1.
What is the InChIKey of 1-[4-(methoxymethyl)-3,6-dihydro-2H-pyridin-1-yl]-3-(methylamino)propan-1-one?
The InChIKey is DXICVMZGMUPXFB-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H20N2O2/c1-12-6-3-11(14)13-7-4-10(5-8-13)9-15-2/h4,12H,3,5-9H2,1-2H3.
What are the key properties of 1-[4-(methoxymethyl)-3,6-dihydro-2H-pyridin-1-yl]-3-(methylamino)propan-1-one?
1-[4-(methoxymethyl)-3,6-dihydro-2H-pyridin-1-yl]-3-(methylamino)propan-1-one 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 1-[4-(methoxymethyl)-3,6-dihydro-2H-pyridin-1-yl]-3-(methylamino)propan-1-one is sourced from PubChem (CID 114409816), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).