5-methyl-2-[(1-propan-2-ylpyrrolidin-3-yl)methyl]pyridine

C14H22N2 — CID 122607446

IUPAC5-methyl-2-[(1-propan-2-ylpyrrolidin-3-yl)methyl]pyridine
SMILESCc1ccc(CC2CCN(C(C)C)C2)nc1
InChIInChI=1S/C14H22N2/c1-11(2)16-7-6-13(10-16)8-14-5-4-12(3)9-15-14/h4-5,9,11,13H,6-8,10H2,1-3H3
InChIKeyJDSRKTZSPJNHGA-UHFFFAOYSA-N
MW218.34 g/mol
LogP2.66
Rot. Bonds3

About 5-methyl-2-[(1-propan-2-ylpyrrolidin-3-yl)methyl]pyridine

5-methyl-2-[(1-propan-2-ylpyrrolidin-3-yl)methyl]pyridine (PubChem CID 122607446) has the molecular formula C14H22N2 and a molecular weight of 218.34 g/mol. Its IUPAC name is 5-methyl-2-[(1-propan-2-ylpyrrolidin-3-yl)methyl]pyridine.

Molecular Properties

Compound Name5-methyl-2-[(1-propan-2-ylpyrrolidin-3-yl)methyl]pyridine
PubChem CID122607446
Molecular FormulaC14H22N2
Molecular Weight218.34 g/mol
Exact Mass218.18
IUPAC Name5-methyl-2-[(1-propan-2-ylpyrrolidin-3-yl)methyl]pyridine
SMILESCc1ccc(CC2CCN(C(C)C)C2)nc1
InChIInChI=1S/C14H22N2/c1-11(2)16-7-6-13(10-16)8-14-5-4-12(3)9-15-14/h4-5,9,11,13H,6-8,10H2,1-3H3
InChIKeyJDSRKTZSPJNHGA-UHFFFAOYSA-N
XLogP2.66
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 ≤ 52.66
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 5-methyl-2-[(1-propan-2-ylpyrrolidin-3-yl)methyl]pyridine?
The IUPAC name of 5-methyl-2-[(1-propan-2-ylpyrrolidin-3-yl)methyl]pyridine (CID 122607446) is 5-methyl-2-[(1-propan-2-ylpyrrolidin-3-yl)methyl]pyridine.
What is the SMILES notation for 5-methyl-2-[(1-propan-2-ylpyrrolidin-3-yl)methyl]pyridine?
The canonical SMILES for 5-methyl-2-[(1-propan-2-ylpyrrolidin-3-yl)methyl]pyridine is Cc1ccc(CC2CCN(C(C)C)C2)nc1.
What is the InChIKey of 5-methyl-2-[(1-propan-2-ylpyrrolidin-3-yl)methyl]pyridine?
The InChIKey is JDSRKTZSPJNHGA-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H22N2/c1-11(2)16-7-6-13(10-16)8-14-5-4-12(3)9-15-14/h4-5,9,11,13H,6-8,10H2,1-3H3.
What are the key properties of 5-methyl-2-[(1-propan-2-ylpyrrolidin-3-yl)methyl]pyridine?
5-methyl-2-[(1-propan-2-ylpyrrolidin-3-yl)methyl]pyridine has a molecular weight of 218.34 g/mol, XLogP of 2.66, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-methyl-2-[(1-propan-2-ylpyrrolidin-3-yl)methyl]pyridine is sourced from PubChem (CID 122607446), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).