6-methoxy-2,2,4-trimethyl-4,5-dihydro-3H-pyridine

C9H17NO — CID 45090929

IUPAC6-methoxy-2,2,4-trimethyl-4,5-dihydro-3H-pyridine
SMILESCOC1=NC(C)(C)CC(C)C1
InChIInChI=1S/C9H17NO/c1-7-5-8(11-4)10-9(2,3)6-7/h7H,5-6H2,1-4H3
InChIKeyHWSOQZGEGYYXNS-UHFFFAOYSA-N
MW155.24 g/mol
LogP2.24
Rot. Bonds

About 6-methoxy-2,2,4-trimethyl-4,5-dihydro-3H-pyridine

6-methoxy-2,2,4-trimethyl-4,5-dihydro-3H-pyridine (PubChem CID 45090929) has the molecular formula C9H17NO and a molecular weight of 155.24 g/mol. Its IUPAC name is 6-methoxy-2,2,4-trimethyl-4,5-dihydro-3H-pyridine.

Molecular Properties

Compound Name6-methoxy-2,2,4-trimethyl-4,5-dihydro-3H-pyridine
PubChem CID45090929
Molecular FormulaC9H17NO
Molecular Weight155.24 g/mol
Exact Mass155.13
IUPAC Name6-methoxy-2,2,4-trimethyl-4,5-dihydro-3H-pyridine
SMILESCOC1=NC(C)(C)CC(C)C1
InChIInChI=1S/C9H17NO/c1-7-5-8(11-4)10-9(2,3)6-7/h7H,5-6H2,1-4H3
InChIKeyHWSOQZGEGYYXNS-UHFFFAOYSA-N
XLogP2.24
TPSA21.59 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500155.24
LogP ≤ 52.24
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

5-methoxy-2,2,4-trimethyl-3,4-dihydropyrrole
CID 167495202
methyl 5-methoxy-2,2-dimethyl-3,4-dihydropyrrole-3-carboxylate
CID 138987540
4-methoxy-1,2,6,8-tetramethyl-3-azabicyclo[4.2.0]oct-3-ene
CID 54399171
(6R)-2,4,4,6-tetramethyl-5,6-dihydro-1,3-oxazine
CID 7004113
trans-(3S,5S)-3-methoxy-3,5-dimethylcyclohexan-1-one
CID 130906180
2-ethyl-5-methoxy-3-methyl-3,4-dihydro-2H-pyrrole
CID 10558715
N-(4-methoxyphenyl)-N,4,4,6-tetramethyl-5,6-dihydro-1,3-thiazin-2-amine
CID 566084
5-methoxy-4-azaspiro[2.4]hept-4-ene
CID 142417429
ethane;4-methoxy-1,2,6-trimethyl-3-azabicyclo[4.2.0]oct-3-ene
CID 90868808
(1S,5S,6S)-3-ethoxy-5,7,7-trimethyl-2-azabicyclo[4.1.0]hept-2-ene
CID 15478718
1,2,4,4,6-pentamethylcycloheptene
CID 91222128
1-[(5R)-3,3,5-trimethylcyclohexen-1-yl]ethanone
CID 135353184

Frequently Asked Questions

What is the IUPAC name of 6-methoxy-2,2,4-trimethyl-4,5-dihydro-3H-pyridine?
The IUPAC name of 6-methoxy-2,2,4-trimethyl-4,5-dihydro-3H-pyridine (CID 45090929) is 6-methoxy-2,2,4-trimethyl-4,5-dihydro-3H-pyridine.
What is the SMILES notation for 6-methoxy-2,2,4-trimethyl-4,5-dihydro-3H-pyridine?
The canonical SMILES for 6-methoxy-2,2,4-trimethyl-4,5-dihydro-3H-pyridine is COC1=NC(C)(C)CC(C)C1.
What is the InChIKey of 6-methoxy-2,2,4-trimethyl-4,5-dihydro-3H-pyridine?
The InChIKey is HWSOQZGEGYYXNS-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H17NO/c1-7-5-8(11-4)10-9(2,3)6-7/h7H,5-6H2,1-4H3.
What are the key properties of 6-methoxy-2,2,4-trimethyl-4,5-dihydro-3H-pyridine?
6-methoxy-2,2,4-trimethyl-4,5-dihydro-3H-pyridine has a molecular weight of 155.24 g/mol, XLogP of 2.24, 0 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 6-methoxy-2,2,4-trimethyl-4,5-dihydro-3H-pyridine is sourced from PubChem (CID 45090929), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).