2-methyl-5-(2-methylhex-1-en-3-yloxymethyl)pyridine

C14H21NO — CID 167004166

IUPAC2-methyl-5-(2-methylhex-1-en-3-yloxymethyl)pyridine
SMILESC=C(C)C(CCC)OCc1ccc(C)nc1
InChIInChI=1S/C14H21NO/c1-5-6-14(11(2)3)16-10-13-8-7-12(4)15-9-13/h7-9,14H,2,5-6,10H2,1,3-4H3
InChIKeyZDJOYBWFTWMSAB-UHFFFAOYSA-N
MW219.33 g/mol
LogP3.65
Rot. Bonds6

About 2-methyl-5-(2-methylhex-1-en-3-yloxymethyl)pyridine

2-methyl-5-(2-methylhex-1-en-3-yloxymethyl)pyridine (PubChem CID 167004166) has the molecular formula C14H21NO and a molecular weight of 219.33 g/mol. Its IUPAC name is 2-methyl-5-(2-methylhex-1-en-3-yloxymethyl)pyridine.

Molecular Properties

Compound Name2-methyl-5-(2-methylhex-1-en-3-yloxymethyl)pyridine
PubChem CID167004166
Molecular FormulaC14H21NO
Molecular Weight219.33 g/mol
Exact Mass219.16
IUPAC Name2-methyl-5-(2-methylhex-1-en-3-yloxymethyl)pyridine
SMILESC=C(C)C(CCC)OCc1ccc(C)nc1
InChIInChI=1S/C14H21NO/c1-5-6-14(11(2)3)16-10-13-8-7-12(4)15-9-13/h7-9,14H,2,5-6,10H2,1,3-4H3
InChIKeyZDJOYBWFTWMSAB-UHFFFAOYSA-N
XLogP3.65
TPSA22.12 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500219.33
LogP ≤ 53.65
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2-methyl-5-(2-methylhex-1-en-3-yloxymethyl)pyridine?
The IUPAC name of 2-methyl-5-(2-methylhex-1-en-3-yloxymethyl)pyridine (CID 167004166) is 2-methyl-5-(2-methylhex-1-en-3-yloxymethyl)pyridine.
What is the SMILES notation for 2-methyl-5-(2-methylhex-1-en-3-yloxymethyl)pyridine?
The canonical SMILES for 2-methyl-5-(2-methylhex-1-en-3-yloxymethyl)pyridine is C=C(C)C(CCC)OCc1ccc(C)nc1.
What is the InChIKey of 2-methyl-5-(2-methylhex-1-en-3-yloxymethyl)pyridine?
The InChIKey is ZDJOYBWFTWMSAB-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21NO/c1-5-6-14(11(2)3)16-10-13-8-7-12(4)15-9-13/h7-9,14H,2,5-6,10H2,1,3-4H3.
What are the key properties of 2-methyl-5-(2-methylhex-1-en-3-yloxymethyl)pyridine?
2-methyl-5-(2-methylhex-1-en-3-yloxymethyl)pyridine has a molecular weight of 219.33 g/mol, XLogP of 3.65, 6 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-5-(2-methylhex-1-en-3-yloxymethyl)pyridine is sourced from PubChem (CID 167004166), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).