ethane;3-methoxy-2-methyl-5-propan-2-ylpyridine

C12H21NO — CID 142518754

IUPACethane;3-methoxy-2-methyl-5-propan-2-ylpyridine
SMILESCC.COc1cc(C(C)C)cnc1C
InChIInChI=1S/C10H15NO.C2H6/c1-7(2)9-5-10(12-4)8(3)11-6-9;1-2/h5-7H,1-4H3;1-2H3
InChIKeyHWUXCJMKHSJLHF-UHFFFAOYSA-N
MW195.31 g/mol
LogP3.55
Rot. Bonds2

About ethane;3-methoxy-2-methyl-5-propan-2-ylpyridine

ethane;3-methoxy-2-methyl-5-propan-2-ylpyridine (PubChem CID 142518754) has the molecular formula C12H21NO and a molecular weight of 195.31 g/mol. Its IUPAC name is ethane;3-methoxy-2-methyl-5-propan-2-ylpyridine.

Molecular Properties

Compound Nameethane;3-methoxy-2-methyl-5-propan-2-ylpyridine
PubChem CID142518754
Molecular FormulaC12H21NO
Molecular Weight195.31 g/mol
Exact Mass195.16
IUPAC Nameethane;3-methoxy-2-methyl-5-propan-2-ylpyridine
SMILESCC.COc1cc(C(C)C)cnc1C
InChIInChI=1S/C10H15NO.C2H6/c1-7(2)9-5-10(12-4)8(3)11-6-9;1-2/h5-7H,1-4H3;1-2H3
InChIKeyHWUXCJMKHSJLHF-UHFFFAOYSA-N
XLogP3.55
TPSA22.12 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500195.31
LogP ≤ 53.55
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of ethane;3-methoxy-2-methyl-5-propan-2-ylpyridine?
The IUPAC name of ethane;3-methoxy-2-methyl-5-propan-2-ylpyridine (CID 142518754) is ethane;3-methoxy-2-methyl-5-propan-2-ylpyridine.
What is the SMILES notation for ethane;3-methoxy-2-methyl-5-propan-2-ylpyridine?
The canonical SMILES for ethane;3-methoxy-2-methyl-5-propan-2-ylpyridine is CC.COc1cc(C(C)C)cnc1C.
What is the InChIKey of ethane;3-methoxy-2-methyl-5-propan-2-ylpyridine?
The InChIKey is HWUXCJMKHSJLHF-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H15NO.C2H6/c1-7(2)9-5-10(12-4)8(3)11-6-9;1-2/h5-7H,1-4H3;1-2H3.
What are the key properties of ethane;3-methoxy-2-methyl-5-propan-2-ylpyridine?
ethane;3-methoxy-2-methyl-5-propan-2-ylpyridine has a molecular weight of 195.31 g/mol, XLogP of 3.55, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for ethane;3-methoxy-2-methyl-5-propan-2-ylpyridine is sourced from PubChem (CID 142518754), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).