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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Related Compounds

methyl 4-ethyl-1-methyl-3,6-dihydro-2H-pyridine-5-carboxylate
CID 105440679
1-methyl-5-(2-methylpropyl)-3,6-dihydro-2H-pyridine-4-carboxylic acid
CID 105450859
1,4-dimethyl-3,6-dihydro-2H-pyridine-5-carboxylic acid
CID 23323988
ethyl 1-methyl-4-(1-phenylethylamino)-3,6-dihydro-2H-pyridine-5-carboxylate
CID 6422014
methyl 3-amino-5-methyl-6,7-dihydro-4H-thieno[3,2-c]pyridine-2-carboxylate
CID 155090715
methyl 6-chloro-3,5-dihydro-2H-pyrrolizine-1-carboxylate
CID 70565981
ethane;methyl 3-methyl-1,2,4,5-tetrahydro-3-benzazepine-7-carboxylate
CID 91090693
dimethyl 2,3-dihydroxycyclohexa-1,3-diene-1,4-dicarboxylate
CID 54679371
tetramethyl (1Z,5Z)-3,7-di(propan-2-yl)cycloocta-1,5-diene-1,2,5,6-tetracarboxylate
CID 11080386
methyl 2-propan-2-ylcyclopentene-1-carboxylate
CID 90076425
dimethyl 2,6-di(propan-2-yl)-1,4-dihydropyridine-3,5-dicarboxylate
CID 101414253
methyl 4-chloro-5-(2-methylpropyl)thiophene-2-carboxylate
CID 97034573

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).