ethyl 4-methyl-3-(methylamino)-3,6-dihydro-2H-pyridine-1-carboxylate

C10H18N2O2 — CID 144558595

IUPACethyl 4-methyl-3-(methylamino)-3,6-dihydro-2H-pyridine-1-carboxylate
SMILESCCOC(=O)N1CC=C(C)C(NC)C1
InChIInChI=1S/C10H18N2O2/c1-4-14-10(13)12-6-5-8(2)9(7-12)11-3/h5,9,11H,4,6-7H2,1-3H3
InChIKeyQUBHMFMCOLJCGM-UHFFFAOYSA-N
MW198.27 g/mol
LogP0.99
Rot. Bonds2

About ethyl 4-methyl-3-(methylamino)-3,6-dihydro-2H-pyridine-1-carboxylate

ethyl 4-methyl-3-(methylamino)-3,6-dihydro-2H-pyridine-1-carboxylate (PubChem CID 144558595) has the molecular formula C10H18N2O2 and a molecular weight of 198.27 g/mol. Its IUPAC name is ethyl 4-methyl-3-(methylamino)-3,6-dihydro-2H-pyridine-1-carboxylate.

Molecular Properties

Compound Nameethyl 4-methyl-3-(methylamino)-3,6-dihydro-2H-pyridine-1-carboxylate
PubChem CID144558595
Molecular FormulaC10H18N2O2
Molecular Weight198.27 g/mol
Exact Mass198.14
IUPAC Nameethyl 4-methyl-3-(methylamino)-3,6-dihydro-2H-pyridine-1-carboxylate
SMILESCCOC(=O)N1CC=C(C)C(NC)C1
InChIInChI=1S/C10H18N2O2/c1-4-14-10(13)12-6-5-8(2)9(7-12)11-3/h5,9,11H,4,6-7H2,1-3H3
InChIKeyQUBHMFMCOLJCGM-UHFFFAOYSA-N
XLogP0.99
TPSA41.57 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500198.27
LogP ≤ 50.99
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

tert-butyl N-[(2S)-1-(5-fluoro-3,6-dihydro-2H-pyridin-1-yl)-4-methoxybutan-2-yl]carbamate
CID 129538623
tert-butyl N-[1-(5-fluoro-3,6-dihydro-2H-pyridin-1-yl)-4-methoxybutan-2-yl]carbamate
CID 126829622
tert-butyl N-[(2R)-1-(5-fluoro-3,6-dihydro-2H-pyridin-1-yl)-4-methoxybutan-2-yl]carbamate
CID 129538621
tert-butyl 3-amino-3,6-dihydro-2H-pyridine-1-carboxylate;hydrochloride
CID 170912511
ethyl N-[1-(3-methylbut-2-enyl)piperidin-3-yl]carbamate
CID 51081691
ethyl 5,7-dihydro-1H-pyrrolo-[3,4-b]pyridine-6-carboxylate
CID 18953638
tert-butyl 3-(prop-2-enoxyamino)-3,6-dihydro-2H-pyridine-1-carboxylate
CID 21942236
tert-butyl N-(1,2,3,6-tetrahydropyridin-3-yl)carbamate
CID 45091885
tert-butyl N-[2-(4-methyl-3,6-dihydro-2H-pyridin-1-yl)ethyl]carbamate
CID 71041928
tert-butyl N-[2-(4-ethyl-3,6-dihydro-2H-pyridin-1-yl)ethyl]carbamate
CID 90396311
tert-butyl 4-(piperazin-1-ylmethyl)-3,6-dihydro-2H-pyridine-1-carboxylate
CID 117205974
tert-butyl N-[[(6S)-5-methyl-1,2,3,6-tetrahydropyridin-6-yl]methyl]carbamate
CID 117732739

Frequently Asked Questions

What is the IUPAC name of ethyl 4-methyl-3-(methylamino)-3,6-dihydro-2H-pyridine-1-carboxylate?
The IUPAC name of ethyl 4-methyl-3-(methylamino)-3,6-dihydro-2H-pyridine-1-carboxylate (CID 144558595) is ethyl 4-methyl-3-(methylamino)-3,6-dihydro-2H-pyridine-1-carboxylate.
What is the SMILES notation for ethyl 4-methyl-3-(methylamino)-3,6-dihydro-2H-pyridine-1-carboxylate?
The canonical SMILES for ethyl 4-methyl-3-(methylamino)-3,6-dihydro-2H-pyridine-1-carboxylate is CCOC(=O)N1CC=C(C)C(NC)C1.
What is the InChIKey of ethyl 4-methyl-3-(methylamino)-3,6-dihydro-2H-pyridine-1-carboxylate?
The InChIKey is QUBHMFMCOLJCGM-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H18N2O2/c1-4-14-10(13)12-6-5-8(2)9(7-12)11-3/h5,9,11H,4,6-7H2,1-3H3.
What are the key properties of ethyl 4-methyl-3-(methylamino)-3,6-dihydro-2H-pyridine-1-carboxylate?
ethyl 4-methyl-3-(methylamino)-3,6-dihydro-2H-pyridine-1-carboxylate has a molecular weight of 198.27 g/mol, XLogP of 0.99, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 4-methyl-3-(methylamino)-3,6-dihydro-2H-pyridine-1-carboxylate is sourced from PubChem (CID 144558595), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).