2-cyclopentyl-4-(dimethoxymethyl)pyridine

C13H19NO2 — CID 174876576

IUPAC2-cyclopentyl-4-(dimethoxymethyl)pyridine
SMILESCOC(OC)c1ccnc(C2CCCC2)c1
InChIInChI=1S/C13H19NO2/c1-15-13(16-2)11-7-8-14-12(9-11)10-5-3-4-6-10/h7-10,13H,3-6H2,1-2H3
InChIKeyYPORPTIXOWHKKA-UHFFFAOYSA-N
MW221.30 g/mol
LogP3.03
Rot. Bonds4

About 2-cyclopentyl-4-(dimethoxymethyl)pyridine

2-cyclopentyl-4-(dimethoxymethyl)pyridine (PubChem CID 174876576) has the molecular formula C13H19NO2 and a molecular weight of 221.30 g/mol. Its IUPAC name is 2-cyclopentyl-4-(dimethoxymethyl)pyridine.

Molecular Properties

Compound Name2-cyclopentyl-4-(dimethoxymethyl)pyridine
PubChem CID174876576
Molecular FormulaC13H19NO2
Molecular Weight221.30 g/mol
Exact Mass221.14
IUPAC Name2-cyclopentyl-4-(dimethoxymethyl)pyridine
SMILESCOC(OC)c1ccnc(C2CCCC2)c1
InChIInChI=1S/C13H19NO2/c1-15-13(16-2)11-7-8-14-12(9-11)10-5-3-4-6-10/h7-10,13H,3-6H2,1-2H3
InChIKeyYPORPTIXOWHKKA-UHFFFAOYSA-N
XLogP3.03
TPSA31.35 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500221.30
LogP ≤ 53.03
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2-cyclopentyl-4-(dimethoxymethyl)pyridine?
The IUPAC name of 2-cyclopentyl-4-(dimethoxymethyl)pyridine (CID 174876576) is 2-cyclopentyl-4-(dimethoxymethyl)pyridine.
What is the SMILES notation for 2-cyclopentyl-4-(dimethoxymethyl)pyridine?
The canonical SMILES for 2-cyclopentyl-4-(dimethoxymethyl)pyridine is COC(OC)c1ccnc(C2CCCC2)c1.
What is the InChIKey of 2-cyclopentyl-4-(dimethoxymethyl)pyridine?
The InChIKey is YPORPTIXOWHKKA-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19NO2/c1-15-13(16-2)11-7-8-14-12(9-11)10-5-3-4-6-10/h7-10,13H,3-6H2,1-2H3.
What are the key properties of 2-cyclopentyl-4-(dimethoxymethyl)pyridine?
2-cyclopentyl-4-(dimethoxymethyl)pyridine has a molecular weight of 221.30 g/mol, XLogP of 3.03, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-cyclopentyl-4-(dimethoxymethyl)pyridine is sourced from PubChem (CID 174876576), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).