methyl 1-(dimethylamino)-5-ethyl-3,4-dihydro-2H-pyridine-2-carboxylate

C11H20N2O2 — CID 15013860

IUPACmethyl 1-(dimethylamino)-5-ethyl-3,4-dihydro-2H-pyridine-2-carboxylate
SMILESCCC1=CN(N(C)C)C(C(=O)OC)CC1
InChIInChI=1S/C11H20N2O2/c1-5-9-6-7-10(11(14)15-4)13(8-9)12(2)3/h8,10H,5-7H2,1-4H3
InChIKeyPDYLMJPOCKBWGJ-UHFFFAOYSA-N
MW212.29 g/mol
LogP1.39
Rot. Bonds3

About methyl 1-(dimethylamino)-5-ethyl-3,4-dihydro-2H-pyridine-2-carboxylate

methyl 1-(dimethylamino)-5-ethyl-3,4-dihydro-2H-pyridine-2-carboxylate (PubChem CID 15013860) has the molecular formula C11H20N2O2 and a molecular weight of 212.29 g/mol. Its IUPAC name is methyl 1-(dimethylamino)-5-ethyl-3,4-dihydro-2H-pyridine-2-carboxylate.

Molecular Properties

Compound Namemethyl 1-(dimethylamino)-5-ethyl-3,4-dihydro-2H-pyridine-2-carboxylate
PubChem CID15013860
Molecular FormulaC11H20N2O2
Molecular Weight212.29 g/mol
Exact Mass212.15
IUPAC Namemethyl 1-(dimethylamino)-5-ethyl-3,4-dihydro-2H-pyridine-2-carboxylate
SMILESCCC1=CN(N(C)C)C(C(=O)OC)CC1
InChIInChI=1S/C11H20N2O2/c1-5-9-6-7-10(11(14)15-4)13(8-9)12(2)3/h8,10H,5-7H2,1-4H3
InChIKeyPDYLMJPOCKBWGJ-UHFFFAOYSA-N
XLogP1.39
TPSA32.78 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500212.29
LogP ≤ 51.39
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of methyl 1-(dimethylamino)-5-ethyl-3,4-dihydro-2H-pyridine-2-carboxylate?
The IUPAC name of methyl 1-(dimethylamino)-5-ethyl-3,4-dihydro-2H-pyridine-2-carboxylate (CID 15013860) is methyl 1-(dimethylamino)-5-ethyl-3,4-dihydro-2H-pyridine-2-carboxylate.
What is the SMILES notation for methyl 1-(dimethylamino)-5-ethyl-3,4-dihydro-2H-pyridine-2-carboxylate?
The canonical SMILES for methyl 1-(dimethylamino)-5-ethyl-3,4-dihydro-2H-pyridine-2-carboxylate is CCC1=CN(N(C)C)C(C(=O)OC)CC1.
What is the InChIKey of methyl 1-(dimethylamino)-5-ethyl-3,4-dihydro-2H-pyridine-2-carboxylate?
The InChIKey is PDYLMJPOCKBWGJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H20N2O2/c1-5-9-6-7-10(11(14)15-4)13(8-9)12(2)3/h8,10H,5-7H2,1-4H3.
What are the key properties of methyl 1-(dimethylamino)-5-ethyl-3,4-dihydro-2H-pyridine-2-carboxylate?
methyl 1-(dimethylamino)-5-ethyl-3,4-dihydro-2H-pyridine-2-carboxylate has a molecular weight of 212.29 g/mol, XLogP of 1.39, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 1-(dimethylamino)-5-ethyl-3,4-dihydro-2H-pyridine-2-carboxylate is sourced from PubChem (CID 15013860), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).