3-methoxy-4-(3-methylhexan-3-yl)pyridine

C13H21NO — CID 154951744

IUPAC3-methoxy-4-(3-methylhexan-3-yl)pyridine
SMILESCCCC(C)(CC)c1ccncc1OC
InChIInChI=1S/C13H21NO/c1-5-8-13(3,6-2)11-7-9-14-10-12(11)15-4/h7,9-10H,5-6,8H2,1-4H3
InChIKeyDCSHRTPIJNIPMH-UHFFFAOYSA-N
MW207.32 g/mol
LogP3.56
Rot. Bonds5

About 3-methoxy-4-(3-methylhexan-3-yl)pyridine

3-methoxy-4-(3-methylhexan-3-yl)pyridine (PubChem CID 154951744) has the molecular formula C13H21NO and a molecular weight of 207.32 g/mol. Its IUPAC name is 3-methoxy-4-(3-methylhexan-3-yl)pyridine.

Molecular Properties

Compound Name3-methoxy-4-(3-methylhexan-3-yl)pyridine
PubChem CID154951744
Molecular FormulaC13H21NO
Molecular Weight207.32 g/mol
Exact Mass207.16
IUPAC Name3-methoxy-4-(3-methylhexan-3-yl)pyridine
SMILESCCCC(C)(CC)c1ccncc1OC
InChIInChI=1S/C13H21NO/c1-5-8-13(3,6-2)11-7-9-14-10-12(11)15-4/h7,9-10H,5-6,8H2,1-4H3
InChIKeyDCSHRTPIJNIPMH-UHFFFAOYSA-N
XLogP3.56
TPSA22.12 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500207.32
LogP ≤ 53.56
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 3-methoxy-4-(3-methylhexan-3-yl)pyridine?
The IUPAC name of 3-methoxy-4-(3-methylhexan-3-yl)pyridine (CID 154951744) is 3-methoxy-4-(3-methylhexan-3-yl)pyridine.
What is the SMILES notation for 3-methoxy-4-(3-methylhexan-3-yl)pyridine?
The canonical SMILES for 3-methoxy-4-(3-methylhexan-3-yl)pyridine is CCCC(C)(CC)c1ccncc1OC.
What is the InChIKey of 3-methoxy-4-(3-methylhexan-3-yl)pyridine?
The InChIKey is DCSHRTPIJNIPMH-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H21NO/c1-5-8-13(3,6-2)11-7-9-14-10-12(11)15-4/h7,9-10H,5-6,8H2,1-4H3.
What are the key properties of 3-methoxy-4-(3-methylhexan-3-yl)pyridine?
3-methoxy-4-(3-methylhexan-3-yl)pyridine has a molecular weight of 207.32 g/mol, XLogP of 3.56, 5 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methoxy-4-(3-methylhexan-3-yl)pyridine is sourced from PubChem (CID 154951744), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).