1-(3-methoxy-2,2-dimethylpropyl)-4-methyl-3,6-dihydro-2H-pyridine

C12H23NO — CID 145137535

IUPAC1-(3-methoxy-2,2-dimethylpropyl)-4-methyl-3,6-dihydro-2H-pyridine
SMILESCOCC(C)(C)CN1CC=C(C)CC1
InChIInChI=1S/C12H23NO/c1-11-5-7-13(8-6-11)9-12(2,3)10-14-4/h5H,6-10H2,1-4H3
InChIKeyVAIYUOHZMQGZEI-UHFFFAOYSA-N
MW197.32 g/mol
LogP2.31
Rot. Bonds4

About 1-(3-methoxy-2,2-dimethylpropyl)-4-methyl-3,6-dihydro-2H-pyridine

1-(3-methoxy-2,2-dimethylpropyl)-4-methyl-3,6-dihydro-2H-pyridine (PubChem CID 145137535) has the molecular formula C12H23NO and a molecular weight of 197.32 g/mol. Its IUPAC name is 1-(3-methoxy-2,2-dimethylpropyl)-4-methyl-3,6-dihydro-2H-pyridine.

Molecular Properties

Compound Name1-(3-methoxy-2,2-dimethylpropyl)-4-methyl-3,6-dihydro-2H-pyridine
PubChem CID145137535
Molecular FormulaC12H23NO
Molecular Weight197.32 g/mol
Exact Mass197.18
IUPAC Name1-(3-methoxy-2,2-dimethylpropyl)-4-methyl-3,6-dihydro-2H-pyridine
SMILESCOCC(C)(C)CN1CC=C(C)CC1
InChIInChI=1S/C12H23NO/c1-11-5-7-13(8-6-11)9-12(2,3)10-14-4/h5H,6-10H2,1-4H3
InChIKeyVAIYUOHZMQGZEI-UHFFFAOYSA-N
XLogP2.31
TPSA12.47 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500197.32
LogP ≤ 52.31
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

(3S)-3-(ethoxymethyl)-4-fluoro-1,3-dimethyl-2,6-dihydropyridine
CID 177009762
(3S)-4-fluoro-3-(methoxymethyl)-1,3-dimethyl-2,6-dihydropyridine
CID 177009817
3-(methoxymethyl)-1-methyl-3,6-dihydro-2H-pyridine
CID 14442216
5-(methoxymethyl)-1-methyl-3,6-dihydro-2H-pyridine
CID 19933885
1-(2-methoxyethyl)-4-methyl-3,6-dihydro-2H-pyridine
CID 89286486
6-methoxy-1,4-dimethyl-3,6-dihydro-2H-pyridine
CID 123353330
5-ethyl-1-[(2-methylpropan-2-yl)oxymethyl]-3,6-dihydro-2H-pyridine
CID 123964482
3-methoxy-N-methyl-N-prop-2-enylpropan-1-amine;(Z)-pent-2-ene
CID 142148052
1-(3-methoxy-2,2-dimethylpropyl)-4-methyl-3,6-dihydro-2H-pyridine;propane
CID 145137534
methane;3-(methoxymethyl)-1-methyl-3,6-dihydro-2H-pyridine
CID 158474492
ethane;1-(2-methoxyethoxymethyl)-4-methyl-3,6-dihydro-2H-pyridine
CID 163257855
(E)-N,4-diethyl-N-(3-methoxypropyl)hept-4-en-1-amine
CID 167281240

Frequently Asked Questions

What is the IUPAC name of 1-(3-methoxy-2,2-dimethylpropyl)-4-methyl-3,6-dihydro-2H-pyridine?
The IUPAC name of 1-(3-methoxy-2,2-dimethylpropyl)-4-methyl-3,6-dihydro-2H-pyridine (CID 145137535) is 1-(3-methoxy-2,2-dimethylpropyl)-4-methyl-3,6-dihydro-2H-pyridine.
What is the SMILES notation for 1-(3-methoxy-2,2-dimethylpropyl)-4-methyl-3,6-dihydro-2H-pyridine?
The canonical SMILES for 1-(3-methoxy-2,2-dimethylpropyl)-4-methyl-3,6-dihydro-2H-pyridine is COCC(C)(C)CN1CC=C(C)CC1.
What is the InChIKey of 1-(3-methoxy-2,2-dimethylpropyl)-4-methyl-3,6-dihydro-2H-pyridine?
The InChIKey is VAIYUOHZMQGZEI-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H23NO/c1-11-5-7-13(8-6-11)9-12(2,3)10-14-4/h5H,6-10H2,1-4H3.
What are the key properties of 1-(3-methoxy-2,2-dimethylpropyl)-4-methyl-3,6-dihydro-2H-pyridine?
1-(3-methoxy-2,2-dimethylpropyl)-4-methyl-3,6-dihydro-2H-pyridine has a molecular weight of 197.32 g/mol, XLogP of 2.31, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-methoxy-2,2-dimethylpropyl)-4-methyl-3,6-dihydro-2H-pyridine is sourced from PubChem (CID 145137535), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).