4-(pentan-2-yloxymethyl)pyridine

C11H17NO — CID 59678333

IUPAC4-(pentan-2-yloxymethyl)pyridine
SMILESCCCC(C)OCc1ccncc1
InChIInChI=1S/C11H17NO/c1-3-4-10(2)13-9-11-5-7-12-8-6-11/h5-8,10H,3-4,9H2,1-2H3
InChIKeyFEXPSGCTHPVFPF-UHFFFAOYSA-N
MW179.26 g/mol
LogP2.79
Rot. Bonds5

About 4-(pentan-2-yloxymethyl)pyridine

4-(pentan-2-yloxymethyl)pyridine (PubChem CID 59678333) has the molecular formula C11H17NO and a molecular weight of 179.26 g/mol. Its IUPAC name is 4-(pentan-2-yloxymethyl)pyridine.

Molecular Properties

Compound Name4-(pentan-2-yloxymethyl)pyridine
PubChem CID59678333
Molecular FormulaC11H17NO
Molecular Weight179.26 g/mol
Exact Mass179.13
IUPAC Name4-(pentan-2-yloxymethyl)pyridine
SMILESCCCC(C)OCc1ccncc1
InChIInChI=1S/C11H17NO/c1-3-4-10(2)13-9-11-5-7-12-8-6-11/h5-8,10H,3-4,9H2,1-2H3
InChIKeyFEXPSGCTHPVFPF-UHFFFAOYSA-N
XLogP2.79
TPSA22.12 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500179.26
LogP ≤ 52.79
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Analyze 4-(pentan-2-yloxymethyl)pyridine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

4-(propan-2-yloxymethyl)pyridine
CID 14442204
N-methyl-2-(pyridin-4-ylmethoxy)propan-1-amine
CID 62335696
2-[4-(pentan-2-yloxymethyl)phenyl]ethanamine
CID 102987139
4-(pentan-2-yloxymethyl)-N-propylpyridin-2-amine
CID 102985121
2-methyl-N-[[4-(pentan-2-yloxymethyl)phenyl]methyl]propan-1-amine
CID 102986816
N-methyl-2-[4-(pentan-2-yloxymethyl)phenyl]propan-1-amine
CID 102987103
hexan-3-yloxymethylbenzene
CID 20782034
methyl 2-(pyridin-4-ylmethoxy)propanoate
CID 83213951
[6-(pentan-2-yloxymethyl)-2-pyridinyl]methanamine
CID 106908718
1-(heptan-2-yloxymethyl)-4-methoxybenzene
CID 142701861
4-[(2S)-pentan-2-yl]pyridine
CID 166675231
4-(2-chloro-3-methylhexyl)pyridine
CID 66459985

Frequently Asked Questions

What is the IUPAC name of 4-(pentan-2-yloxymethyl)pyridine?
The IUPAC name of 4-(pentan-2-yloxymethyl)pyridine (CID 59678333) is 4-(pentan-2-yloxymethyl)pyridine.
What is the SMILES notation for 4-(pentan-2-yloxymethyl)pyridine?
The canonical SMILES for 4-(pentan-2-yloxymethyl)pyridine is CCCC(C)OCc1ccncc1.
What is the InChIKey of 4-(pentan-2-yloxymethyl)pyridine?
The InChIKey is FEXPSGCTHPVFPF-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H17NO/c1-3-4-10(2)13-9-11-5-7-12-8-6-11/h5-8,10H,3-4,9H2,1-2H3.
What are the key properties of 4-(pentan-2-yloxymethyl)pyridine?
4-(pentan-2-yloxymethyl)pyridine has a molecular weight of 179.26 g/mol, XLogP of 2.79, 5 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(pentan-2-yloxymethyl)pyridine is sourced from PubChem (CID 59678333), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).