ethane;5-methoxy-4-methyl-2-(1-methylcyclopropyl)pyridine

C15H27NO — CID 143133902

IUPACethane;5-methoxy-4-methyl-2-(1-methylcyclopropyl)pyridine
SMILESCC.CC.COc1cnc(C2(C)CC2)cc1C
InChIInChI=1S/C11H15NO.2C2H6/c1-8-6-10(11(2)4-5-11)12-7-9(8)13-3;2*1-2/h6-7H,4-5H2,1-3H3;2*1-2H3
InChIKeyWDLSDJDLNCHXKM-UHFFFAOYSA-N
MW237.39 g/mol
LogP4.50
Rot. Bonds2

About ethane;5-methoxy-4-methyl-2-(1-methylcyclopropyl)pyridine

ethane;5-methoxy-4-methyl-2-(1-methylcyclopropyl)pyridine (PubChem CID 143133902) has the molecular formula C15H27NO and a molecular weight of 237.39 g/mol. Its IUPAC name is ethane;5-methoxy-4-methyl-2-(1-methylcyclopropyl)pyridine.

Molecular Properties

Compound Nameethane;5-methoxy-4-methyl-2-(1-methylcyclopropyl)pyridine
PubChem CID143133902
Molecular FormulaC15H27NO
Molecular Weight237.39 g/mol
Exact Mass237.21
IUPAC Nameethane;5-methoxy-4-methyl-2-(1-methylcyclopropyl)pyridine
SMILESCC.CC.COc1cnc(C2(C)CC2)cc1C
InChIInChI=1S/C11H15NO.2C2H6/c1-8-6-10(11(2)4-5-11)12-7-9(8)13-3;2*1-2/h6-7H,4-5H2,1-3H3;2*1-2H3
InChIKeyWDLSDJDLNCHXKM-UHFFFAOYSA-N
XLogP4.50
TPSA22.12 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500237.39
LogP ≤ 54.50
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of ethane;5-methoxy-4-methyl-2-(1-methylcyclopropyl)pyridine?
The IUPAC name of ethane;5-methoxy-4-methyl-2-(1-methylcyclopropyl)pyridine (CID 143133902) is ethane;5-methoxy-4-methyl-2-(1-methylcyclopropyl)pyridine.
What is the SMILES notation for ethane;5-methoxy-4-methyl-2-(1-methylcyclopropyl)pyridine?
The canonical SMILES for ethane;5-methoxy-4-methyl-2-(1-methylcyclopropyl)pyridine is CC.CC.COc1cnc(C2(C)CC2)cc1C.
What is the InChIKey of ethane;5-methoxy-4-methyl-2-(1-methylcyclopropyl)pyridine?
The InChIKey is WDLSDJDLNCHXKM-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H15NO.2C2H6/c1-8-6-10(11(2)4-5-11)12-7-9(8)13-3;2*1-2/h6-7H,4-5H2,1-3H3;2*1-2H3.
What are the key properties of ethane;5-methoxy-4-methyl-2-(1-methylcyclopropyl)pyridine?
ethane;5-methoxy-4-methyl-2-(1-methylcyclopropyl)pyridine has a molecular weight of 237.39 g/mol, XLogP of 4.50, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for ethane;5-methoxy-4-methyl-2-(1-methylcyclopropyl)pyridine is sourced from PubChem (CID 143133902), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).