3-ethyl-5-(pyrrolidin-1-ylmethyl)pyridine

C12H18N2 — CID 89167952

IUPAC3-ethyl-5-(pyrrolidin-1-ylmethyl)pyridine
SMILESCCc1cncc(CN2CCCC2)c1
InChIInChI=1S/C12H18N2/c1-2-11-7-12(9-13-8-11)10-14-5-3-4-6-14/h7-9H,2-6,10H2,1H3
InChIKeyKREMSJVKZMINJN-UHFFFAOYSA-N
MW190.29 g/mol
LogP2.24
Rot. Bonds3

About 3-ethyl-5-(pyrrolidin-1-ylmethyl)pyridine

3-ethyl-5-(pyrrolidin-1-ylmethyl)pyridine (PubChem CID 89167952) has the molecular formula C12H18N2 and a molecular weight of 190.29 g/mol. Its IUPAC name is 3-ethyl-5-(pyrrolidin-1-ylmethyl)pyridine.

Molecular Properties

Compound Name3-ethyl-5-(pyrrolidin-1-ylmethyl)pyridine
PubChem CID89167952
Molecular FormulaC12H18N2
Molecular Weight190.29 g/mol
Exact Mass190.15
IUPAC Name3-ethyl-5-(pyrrolidin-1-ylmethyl)pyridine
SMILESCCc1cncc(CN2CCCC2)c1
InChIInChI=1S/C12H18N2/c1-2-11-7-12(9-13-8-11)10-14-5-3-4-6-14/h7-9H,2-6,10H2,1H3
InChIKeyKREMSJVKZMINJN-UHFFFAOYSA-N
XLogP2.24
TPSA16.13 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500190.29
LogP ≤ 52.24
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 3-ethyl-5-(pyrrolidin-1-ylmethyl)pyridine?
The IUPAC name of 3-ethyl-5-(pyrrolidin-1-ylmethyl)pyridine (CID 89167952) is 3-ethyl-5-(pyrrolidin-1-ylmethyl)pyridine.
What is the SMILES notation for 3-ethyl-5-(pyrrolidin-1-ylmethyl)pyridine?
The canonical SMILES for 3-ethyl-5-(pyrrolidin-1-ylmethyl)pyridine is CCc1cncc(CN2CCCC2)c1.
What is the InChIKey of 3-ethyl-5-(pyrrolidin-1-ylmethyl)pyridine?
The InChIKey is KREMSJVKZMINJN-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H18N2/c1-2-11-7-12(9-13-8-11)10-14-5-3-4-6-14/h7-9H,2-6,10H2,1H3.
What are the key properties of 3-ethyl-5-(pyrrolidin-1-ylmethyl)pyridine?
3-ethyl-5-(pyrrolidin-1-ylmethyl)pyridine has a molecular weight of 190.29 g/mol, XLogP of 2.24, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-ethyl-5-(pyrrolidin-1-ylmethyl)pyridine is sourced from PubChem (CID 89167952), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).