2-methyl-6-propan-2-yl-3-propan-2-yloxy-2,3-dihydropyridine

C12H21NO — CID 145226116

IUPAC2-methyl-6-propan-2-yl-3-propan-2-yloxy-2,3-dihydropyridine
SMILESCC(C)OC1C=CC(C(C)C)=NC1C
InChIInChI=1S/C12H21NO/c1-8(2)11-6-7-12(10(5)13-11)14-9(3)4/h6-10,12H,1-5H3
InChIKeyONGRQRZYUFYDGG-UHFFFAOYSA-N
MW195.31 g/mol
LogP2.84
Rot. Bonds3

About 2-methyl-6-propan-2-yl-3-propan-2-yloxy-2,3-dihydropyridine

2-methyl-6-propan-2-yl-3-propan-2-yloxy-2,3-dihydropyridine (PubChem CID 145226116) has the molecular formula C12H21NO and a molecular weight of 195.31 g/mol. Its IUPAC name is 2-methyl-6-propan-2-yl-3-propan-2-yloxy-2,3-dihydropyridine.

Molecular Properties

Compound Name2-methyl-6-propan-2-yl-3-propan-2-yloxy-2,3-dihydropyridine
PubChem CID145226116
Molecular FormulaC12H21NO
Molecular Weight195.31 g/mol
Exact Mass195.16
IUPAC Name2-methyl-6-propan-2-yl-3-propan-2-yloxy-2,3-dihydropyridine
SMILESCC(C)OC1C=CC(C(C)C)=NC1C
InChIInChI=1S/C12H21NO/c1-8(2)11-6-7-12(10(5)13-11)14-9(3)4/h6-10,12H,1-5H3
InChIKeyONGRQRZYUFYDGG-UHFFFAOYSA-N
XLogP2.84
TPSA21.59 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500195.31
LogP ≤ 52.84
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-methyl-6-propan-2-yl-3-propan-2-yloxy-2,3-dihydropyridine?
The IUPAC name of 2-methyl-6-propan-2-yl-3-propan-2-yloxy-2,3-dihydropyridine (CID 145226116) is 2-methyl-6-propan-2-yl-3-propan-2-yloxy-2,3-dihydropyridine.
What is the SMILES notation for 2-methyl-6-propan-2-yl-3-propan-2-yloxy-2,3-dihydropyridine?
The canonical SMILES for 2-methyl-6-propan-2-yl-3-propan-2-yloxy-2,3-dihydropyridine is CC(C)OC1C=CC(C(C)C)=NC1C.
What is the InChIKey of 2-methyl-6-propan-2-yl-3-propan-2-yloxy-2,3-dihydropyridine?
The InChIKey is ONGRQRZYUFYDGG-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H21NO/c1-8(2)11-6-7-12(10(5)13-11)14-9(3)4/h6-10,12H,1-5H3.
What are the key properties of 2-methyl-6-propan-2-yl-3-propan-2-yloxy-2,3-dihydropyridine?
2-methyl-6-propan-2-yl-3-propan-2-yloxy-2,3-dihydropyridine has a molecular weight of 195.31 g/mol, XLogP of 2.84, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-6-propan-2-yl-3-propan-2-yloxy-2,3-dihydropyridine is sourced from PubChem (CID 145226116), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).