4-(4-tert-butylcyclohexyl)oxy-3-methoxy-2-methylpyridine

C17H27NO2 — CID 54349060

IUPAC4-(4-tert-butylcyclohexyl)oxy-3-methoxy-2-methylpyridine
SMILESCOc1c(OC2CCC(C(C)(C)C)CC2)ccnc1C
InChIInChI=1S/C17H27NO2/c1-12-16(19-5)15(10-11-18-12)20-14-8-6-13(7-9-14)17(2,3)4/h10-11,13-14H,6-9H2,1-5H3
InChIKeyUEKDHJKQWYIAEL-UHFFFAOYSA-N
MW277.41 g/mol
LogP4.38
Rot. Bonds3

About 4-(4-tert-butylcyclohexyl)oxy-3-methoxy-2-methylpyridine

4-(4-tert-butylcyclohexyl)oxy-3-methoxy-2-methylpyridine (PubChem CID 54349060) has the molecular formula C17H27NO2 and a molecular weight of 277.41 g/mol. Its IUPAC name is 4-(4-tert-butylcyclohexyl)oxy-3-methoxy-2-methylpyridine.

Molecular Properties

Compound Name4-(4-tert-butylcyclohexyl)oxy-3-methoxy-2-methylpyridine
PubChem CID54349060
Molecular FormulaC17H27NO2
Molecular Weight277.41 g/mol
Exact Mass277.20
IUPAC Name4-(4-tert-butylcyclohexyl)oxy-3-methoxy-2-methylpyridine
SMILESCOc1c(OC2CCC(C(C)(C)C)CC2)ccnc1C
InChIInChI=1S/C17H27NO2/c1-12-16(19-5)15(10-11-18-12)20-14-8-6-13(7-9-14)17(2,3)4/h10-11,13-14H,6-9H2,1-5H3
InChIKeyUEKDHJKQWYIAEL-UHFFFAOYSA-N
XLogP4.38
TPSA31.35 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500277.41
LogP ≤ 54.38
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 4-(4-tert-butylcyclohexyl)oxy-3-methoxy-2-methylpyridine?
The IUPAC name of 4-(4-tert-butylcyclohexyl)oxy-3-methoxy-2-methylpyridine (CID 54349060) is 4-(4-tert-butylcyclohexyl)oxy-3-methoxy-2-methylpyridine.
What is the SMILES notation for 4-(4-tert-butylcyclohexyl)oxy-3-methoxy-2-methylpyridine?
The canonical SMILES for 4-(4-tert-butylcyclohexyl)oxy-3-methoxy-2-methylpyridine is COc1c(OC2CCC(C(C)(C)C)CC2)ccnc1C.
What is the InChIKey of 4-(4-tert-butylcyclohexyl)oxy-3-methoxy-2-methylpyridine?
The InChIKey is UEKDHJKQWYIAEL-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H27NO2/c1-12-16(19-5)15(10-11-18-12)20-14-8-6-13(7-9-14)17(2,3)4/h10-11,13-14H,6-9H2,1-5H3.
What are the key properties of 4-(4-tert-butylcyclohexyl)oxy-3-methoxy-2-methylpyridine?
4-(4-tert-butylcyclohexyl)oxy-3-methoxy-2-methylpyridine has a molecular weight of 277.41 g/mol, XLogP of 4.38, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(4-tert-butylcyclohexyl)oxy-3-methoxy-2-methylpyridine is sourced from PubChem (CID 54349060), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).