methyl 5,6-dimethyl-2-(2-methylbutyl)-3,6-dihydro-2H-pyridine-1-carboxylate

C14H25NO2 — CID 91232421

IUPACmethyl 5,6-dimethyl-2-(2-methylbutyl)-3,6-dihydro-2H-pyridine-1-carboxylate
SMILESCCC(C)CC1CC=C(C)C(C)N1C(=O)OC
InChIInChI=1S/C14H25NO2/c1-6-10(2)9-13-8-7-11(3)12(4)15(13)14(16)17-5/h7,10,12-13H,6,8-9H2,1-5H3
InChIKeyFDOJEWSKRFHMLD-UHFFFAOYSA-N
MW239.36 g/mol
LogP3.60
Rot. Bonds3

About methyl 5,6-dimethyl-2-(2-methylbutyl)-3,6-dihydro-2H-pyridine-1-carboxylate

methyl 5,6-dimethyl-2-(2-methylbutyl)-3,6-dihydro-2H-pyridine-1-carboxylate (PubChem CID 91232421) has the molecular formula C14H25NO2 and a molecular weight of 239.36 g/mol. Its IUPAC name is methyl 5,6-dimethyl-2-(2-methylbutyl)-3,6-dihydro-2H-pyridine-1-carboxylate.

Molecular Properties

Compound Namemethyl 5,6-dimethyl-2-(2-methylbutyl)-3,6-dihydro-2H-pyridine-1-carboxylate
PubChem CID91232421
Molecular FormulaC14H25NO2
Molecular Weight239.36 g/mol
Exact Mass239.19
IUPAC Namemethyl 5,6-dimethyl-2-(2-methylbutyl)-3,6-dihydro-2H-pyridine-1-carboxylate
SMILESCCC(C)CC1CC=C(C)C(C)N1C(=O)OC
InChIInChI=1S/C14H25NO2/c1-6-10(2)9-13-8-7-11(3)12(4)15(13)14(16)17-5/h7,10,12-13H,6,8-9H2,1-5H3
InChIKeyFDOJEWSKRFHMLD-UHFFFAOYSA-N
XLogP3.60
TPSA29.54 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500239.36
LogP ≤ 53.60
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Related Compounds

1-methyl-5-(2-methylbutyl)cyclopentene
CID 163754546
methyl 2-methyl-5-(methylaminomethyl)pyrrolidine-1-carboxylate
CID 123814429
methyl 3-oxo-8-azabicyclo[3.2.1]oct-6-ene-8-carboxylate
CID 12074117
dimethyl (2S,5S)-5-propylpyrrolidine-1,2-dicarboxylate
CID 14523837
methyl 2-[2-(methylamino)propyl]piperidine-1-carboxylate
CID 112714077
methyl 4-(1-ethoxyethenyl)-3-propan-2-yl-2H-imidazole-1-carboxylate
CID 142754225
methyl 4-[2-(methylamino)propyl]piperidine-1-carboxylate
CID 112714080
methyl (1S,5S)-3-oxa-8-azabicyclo[3.2.1]oct-6-ene-8-carboxylate
CID 125474549
methyl (1R,5S)-3-hydroxy-8-azabicyclo[3.2.1]oct-6-ene-8-carboxylate
CID 130832763
methyl (1R,2R,5S,6R)-2,5-dimethyl-7-azabicyclo[4.1.0]hept-3-ene-7-carboxylate
CID 98553757
dimethyl 6-propylpiperidine-1,2-dicarboxylate
CID 71338696
methyl (2R)-2-ethyl-1-methyl-3,6-dihydro-2H-pyridine-4-carboxylate
CID 58781901

Frequently Asked Questions

What is the IUPAC name of methyl 5,6-dimethyl-2-(2-methylbutyl)-3,6-dihydro-2H-pyridine-1-carboxylate?
The IUPAC name of methyl 5,6-dimethyl-2-(2-methylbutyl)-3,6-dihydro-2H-pyridine-1-carboxylate (CID 91232421) is methyl 5,6-dimethyl-2-(2-methylbutyl)-3,6-dihydro-2H-pyridine-1-carboxylate.
What is the SMILES notation for methyl 5,6-dimethyl-2-(2-methylbutyl)-3,6-dihydro-2H-pyridine-1-carboxylate?
The canonical SMILES for methyl 5,6-dimethyl-2-(2-methylbutyl)-3,6-dihydro-2H-pyridine-1-carboxylate is CCC(C)CC1CC=C(C)C(C)N1C(=O)OC.
What is the InChIKey of methyl 5,6-dimethyl-2-(2-methylbutyl)-3,6-dihydro-2H-pyridine-1-carboxylate?
The InChIKey is FDOJEWSKRFHMLD-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H25NO2/c1-6-10(2)9-13-8-7-11(3)12(4)15(13)14(16)17-5/h7,10,12-13H,6,8-9H2,1-5H3.
What are the key properties of methyl 5,6-dimethyl-2-(2-methylbutyl)-3,6-dihydro-2H-pyridine-1-carboxylate?
methyl 5,6-dimethyl-2-(2-methylbutyl)-3,6-dihydro-2H-pyridine-1-carboxylate has a molecular weight of 239.36 g/mol, XLogP of 3.60, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 5,6-dimethyl-2-(2-methylbutyl)-3,6-dihydro-2H-pyridine-1-carboxylate is sourced from PubChem (CID 91232421), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).