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

C13H24N2O2 — CID 114409798

IUPAC2-(ethylamino)-1-[4-(methoxymethyl)-3,6-dihydro-2H-pyridin-1-yl]-2-methylpropan-1-one
SMILESCCNC(C)(C)C(=O)N1CC=C(COC)CC1
InChIInChI=1S/C13H24N2O2/c1-5-14-13(2,3)12(16)15-8-6-11(7-9-15)10-17-4/h6,14H,5,7-10H2,1-4H3
InChIKeyMEEKVLMWOQLUEH-UHFFFAOYSA-N
MW240.35 g/mol
LogP1.18
Rot. Bonds5

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

2-(ethylamino)-1-[4-(methoxymethyl)-3,6-dihydro-2H-pyridin-1-yl]-2-methylpropan-1-one (PubChem CID 114409798) has the molecular formula C13H24N2O2 and a molecular weight of 240.35 g/mol. Its IUPAC name is 2-(ethylamino)-1-[4-(methoxymethyl)-3,6-dihydro-2H-pyridin-1-yl]-2-methylpropan-1-one.

Molecular Properties

Compound Name2-(ethylamino)-1-[4-(methoxymethyl)-3,6-dihydro-2H-pyridin-1-yl]-2-methylpropan-1-one
PubChem CID114409798
Molecular FormulaC13H24N2O2
Molecular Weight240.35 g/mol
Exact Mass240.18
IUPAC Name2-(ethylamino)-1-[4-(methoxymethyl)-3,6-dihydro-2H-pyridin-1-yl]-2-methylpropan-1-one
SMILESCCNC(C)(C)C(=O)N1CC=C(COC)CC1
InChIInChI=1S/C13H24N2O2/c1-5-14-13(2,3)12(16)15-8-6-11(7-9-15)10-17-4/h6,14H,5,7-10H2,1-4H3
InChIKeyMEEKVLMWOQLUEH-UHFFFAOYSA-N
XLogP1.18
TPSA41.57 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500240.35
LogP ≤ 51.18
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 2-(ethylamino)-1-[4-(methoxymethyl)-3,6-dihydro-2H-pyridin-1-yl]-2-methylpropan-1-one?
The IUPAC name of 2-(ethylamino)-1-[4-(methoxymethyl)-3,6-dihydro-2H-pyridin-1-yl]-2-methylpropan-1-one (CID 114409798) is 2-(ethylamino)-1-[4-(methoxymethyl)-3,6-dihydro-2H-pyridin-1-yl]-2-methylpropan-1-one.
What is the SMILES notation for 2-(ethylamino)-1-[4-(methoxymethyl)-3,6-dihydro-2H-pyridin-1-yl]-2-methylpropan-1-one?
The canonical SMILES for 2-(ethylamino)-1-[4-(methoxymethyl)-3,6-dihydro-2H-pyridin-1-yl]-2-methylpropan-1-one is CCNC(C)(C)C(=O)N1CC=C(COC)CC1.
What is the InChIKey of 2-(ethylamino)-1-[4-(methoxymethyl)-3,6-dihydro-2H-pyridin-1-yl]-2-methylpropan-1-one?
The InChIKey is MEEKVLMWOQLUEH-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H24N2O2/c1-5-14-13(2,3)12(16)15-8-6-11(7-9-15)10-17-4/h6,14H,5,7-10H2,1-4H3.
What are the key properties of 2-(ethylamino)-1-[4-(methoxymethyl)-3,6-dihydro-2H-pyridin-1-yl]-2-methylpropan-1-one?
2-(ethylamino)-1-[4-(methoxymethyl)-3,6-dihydro-2H-pyridin-1-yl]-2-methylpropan-1-one has a molecular weight of 240.35 g/mol, XLogP of 1.18, 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]-2-methylpropan-1-one is sourced from PubChem (CID 114409798), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).