6-(methoxymethyl)-3,4-dimethyl-1,2-dihydropyridine

C9H15NO — CID 142126481

IUPAC6-(methoxymethyl)-3,4-dimethyl-1,2-dihydropyridine
SMILESCOCC1=CC(C)=C(C)CN1
InChIInChI=1S/C9H15NO/c1-7-4-9(6-11-3)10-5-8(7)2/h4,10H,5-6H2,1-3H3
InChIKeySIXYHPWQFRJCRX-UHFFFAOYSA-N
MW153.22 g/mol
LogP1.46
Rot. Bonds2

About 6-(methoxymethyl)-3,4-dimethyl-1,2-dihydropyridine

6-(methoxymethyl)-3,4-dimethyl-1,2-dihydropyridine (PubChem CID 142126481) has the molecular formula C9H15NO and a molecular weight of 153.22 g/mol. Its IUPAC name is 6-(methoxymethyl)-3,4-dimethyl-1,2-dihydropyridine.

Molecular Properties

Compound Name6-(methoxymethyl)-3,4-dimethyl-1,2-dihydropyridine
PubChem CID142126481
Molecular FormulaC9H15NO
Molecular Weight153.22 g/mol
Exact Mass153.12
IUPAC Name6-(methoxymethyl)-3,4-dimethyl-1,2-dihydropyridine
SMILESCOCC1=CC(C)=C(C)CN1
InChIInChI=1S/C9H15NO/c1-7-4-9(6-11-3)10-5-8(7)2/h4,10H,5-6H2,1-3H3
InChIKeySIXYHPWQFRJCRX-UHFFFAOYSA-N
XLogP1.46
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500153.22
LogP ≤ 51.46
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 6-(methoxymethyl)-3,4-dimethyl-1,2-dihydropyridine?
The IUPAC name of 6-(methoxymethyl)-3,4-dimethyl-1,2-dihydropyridine (CID 142126481) is 6-(methoxymethyl)-3,4-dimethyl-1,2-dihydropyridine.
What is the SMILES notation for 6-(methoxymethyl)-3,4-dimethyl-1,2-dihydropyridine?
The canonical SMILES for 6-(methoxymethyl)-3,4-dimethyl-1,2-dihydropyridine is COCC1=CC(C)=C(C)CN1.
What is the InChIKey of 6-(methoxymethyl)-3,4-dimethyl-1,2-dihydropyridine?
The InChIKey is SIXYHPWQFRJCRX-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H15NO/c1-7-4-9(6-11-3)10-5-8(7)2/h4,10H,5-6H2,1-3H3.
What are the key properties of 6-(methoxymethyl)-3,4-dimethyl-1,2-dihydropyridine?
6-(methoxymethyl)-3,4-dimethyl-1,2-dihydropyridine has a molecular weight of 153.22 g/mol, XLogP of 1.46, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(methoxymethyl)-3,4-dimethyl-1,2-dihydropyridine is sourced from PubChem (CID 142126481), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).