methyl 1-methyl-4-(2-methylpropyl)-3,6-dihydro-2H-pyridine-5-carboxylate

C12H21NO2 — CID 105465180

IUPACmethyl 1-methyl-4-(2-methylpropyl)-3,6-dihydro-2H-pyridine-5-carboxylate
SMILESCOC(=O)C1=C(CC(C)C)CCN(C)C1
InChIInChI=1S/C12H21NO2/c1-9(2)7-10-5-6-13(3)8-11(10)12(14)15-4/h9H,5-8H2,1-4H3
InChIKeyWJCNFPLPMHBPAN-UHFFFAOYSA-N
MW211.31 g/mol
LogP1.84
Rot. Bonds3

About methyl 1-methyl-4-(2-methylpropyl)-3,6-dihydro-2H-pyridine-5-carboxylate

methyl 1-methyl-4-(2-methylpropyl)-3,6-dihydro-2H-pyridine-5-carboxylate (PubChem CID 105465180) has the molecular formula C12H21NO2 and a molecular weight of 211.31 g/mol. Its IUPAC name is methyl 1-methyl-4-(2-methylpropyl)-3,6-dihydro-2H-pyridine-5-carboxylate.

Molecular Properties

Compound Namemethyl 1-methyl-4-(2-methylpropyl)-3,6-dihydro-2H-pyridine-5-carboxylate
PubChem CID105465180
Molecular FormulaC12H21NO2
Molecular Weight211.31 g/mol
Exact Mass211.16
IUPAC Namemethyl 1-methyl-4-(2-methylpropyl)-3,6-dihydro-2H-pyridine-5-carboxylate
SMILESCOC(=O)C1=C(CC(C)C)CCN(C)C1
InChIInChI=1S/C12H21NO2/c1-9(2)7-10-5-6-13(3)8-11(10)12(14)15-4/h9H,5-8H2,1-4H3
InChIKeyWJCNFPLPMHBPAN-UHFFFAOYSA-N
XLogP1.84
TPSA29.54 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500211.31
LogP ≤ 51.84
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of methyl 1-methyl-4-(2-methylpropyl)-3,6-dihydro-2H-pyridine-5-carboxylate?
The IUPAC name of methyl 1-methyl-4-(2-methylpropyl)-3,6-dihydro-2H-pyridine-5-carboxylate (CID 105465180) is methyl 1-methyl-4-(2-methylpropyl)-3,6-dihydro-2H-pyridine-5-carboxylate.
What is the SMILES notation for methyl 1-methyl-4-(2-methylpropyl)-3,6-dihydro-2H-pyridine-5-carboxylate?
The canonical SMILES for methyl 1-methyl-4-(2-methylpropyl)-3,6-dihydro-2H-pyridine-5-carboxylate is COC(=O)C1=C(CC(C)C)CCN(C)C1.
What is the InChIKey of methyl 1-methyl-4-(2-methylpropyl)-3,6-dihydro-2H-pyridine-5-carboxylate?
The InChIKey is WJCNFPLPMHBPAN-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H21NO2/c1-9(2)7-10-5-6-13(3)8-11(10)12(14)15-4/h9H,5-8H2,1-4H3.
What are the key properties of methyl 1-methyl-4-(2-methylpropyl)-3,6-dihydro-2H-pyridine-5-carboxylate?
methyl 1-methyl-4-(2-methylpropyl)-3,6-dihydro-2H-pyridine-5-carboxylate has a molecular weight of 211.31 g/mol, XLogP of 1.84, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 1-methyl-4-(2-methylpropyl)-3,6-dihydro-2H-pyridine-5-carboxylate is sourced from PubChem (CID 105465180), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).