4-ethyl-2-(3-propan-2-ylpyrrolidin-1-yl)pyridine

C14H22N2 — CID 170397345

IUPAC4-ethyl-2-(3-propan-2-ylpyrrolidin-1-yl)pyridine
SMILESCCc1ccnc(N2CCC(C(C)C)C2)c1
InChIInChI=1S/C14H22N2/c1-4-12-5-7-15-14(9-12)16-8-6-13(10-16)11(2)3/h5,7,9,11,13H,4,6,8,10H2,1-3H3
InChIKeyLDABFQCHXDIOGB-UHFFFAOYSA-N
MW218.34 g/mol
LogP3.13
Rot. Bonds3

About 4-ethyl-2-(3-propan-2-ylpyrrolidin-1-yl)pyridine

4-ethyl-2-(3-propan-2-ylpyrrolidin-1-yl)pyridine (PubChem CID 170397345) has the molecular formula C14H22N2 and a molecular weight of 218.34 g/mol. Its IUPAC name is 4-ethyl-2-(3-propan-2-ylpyrrolidin-1-yl)pyridine.

Molecular Properties

Compound Name4-ethyl-2-(3-propan-2-ylpyrrolidin-1-yl)pyridine
PubChem CID170397345
Molecular FormulaC14H22N2
Molecular Weight218.34 g/mol
Exact Mass218.18
IUPAC Name4-ethyl-2-(3-propan-2-ylpyrrolidin-1-yl)pyridine
SMILESCCc1ccnc(N2CCC(C(C)C)C2)c1
InChIInChI=1S/C14H22N2/c1-4-12-5-7-15-14(9-12)16-8-6-13(10-16)11(2)3/h5,7,9,11,13H,4,6,8,10H2,1-3H3
InChIKeyLDABFQCHXDIOGB-UHFFFAOYSA-N
XLogP3.13
TPSA16.13 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500218.34
LogP ≤ 53.13
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 4-ethyl-2-(3-propan-2-ylpyrrolidin-1-yl)pyridine?
The IUPAC name of 4-ethyl-2-(3-propan-2-ylpyrrolidin-1-yl)pyridine (CID 170397345) is 4-ethyl-2-(3-propan-2-ylpyrrolidin-1-yl)pyridine.
What is the SMILES notation for 4-ethyl-2-(3-propan-2-ylpyrrolidin-1-yl)pyridine?
The canonical SMILES for 4-ethyl-2-(3-propan-2-ylpyrrolidin-1-yl)pyridine is CCc1ccnc(N2CCC(C(C)C)C2)c1.
What is the InChIKey of 4-ethyl-2-(3-propan-2-ylpyrrolidin-1-yl)pyridine?
The InChIKey is LDABFQCHXDIOGB-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H22N2/c1-4-12-5-7-15-14(9-12)16-8-6-13(10-16)11(2)3/h5,7,9,11,13H,4,6,8,10H2,1-3H3.
What are the key properties of 4-ethyl-2-(3-propan-2-ylpyrrolidin-1-yl)pyridine?
4-ethyl-2-(3-propan-2-ylpyrrolidin-1-yl)pyridine has a molecular weight of 218.34 g/mol, XLogP of 3.13, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-ethyl-2-(3-propan-2-ylpyrrolidin-1-yl)pyridine is sourced from PubChem (CID 170397345), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).