2-methyl-4-(2-methylpropyl)-6-pyrrolidin-1-ylpyridine

C14H22N2 — CID 157425014

IUPAC2-methyl-4-(2-methylpropyl)-6-pyrrolidin-1-ylpyridine
SMILESCc1cc(CC(C)C)cc(N2CCCC2)n1
InChIInChI=1S/C14H22N2/c1-11(2)8-13-9-12(3)15-14(10-13)16-6-4-5-7-16/h9-11H,4-8H2,1-3H3
InChIKeyOXAPBNBRZVBCNG-UHFFFAOYSA-N
MW218.34 g/mol
LogP3.19
Rot. Bonds3

About 2-methyl-4-(2-methylpropyl)-6-pyrrolidin-1-ylpyridine

2-methyl-4-(2-methylpropyl)-6-pyrrolidin-1-ylpyridine (PubChem CID 157425014) has the molecular formula C14H22N2 and a molecular weight of 218.34 g/mol. Its IUPAC name is 2-methyl-4-(2-methylpropyl)-6-pyrrolidin-1-ylpyridine.

Molecular Properties

Compound Name2-methyl-4-(2-methylpropyl)-6-pyrrolidin-1-ylpyridine
PubChem CID157425014
Molecular FormulaC14H22N2
Molecular Weight218.34 g/mol
Exact Mass218.18
IUPAC Name2-methyl-4-(2-methylpropyl)-6-pyrrolidin-1-ylpyridine
SMILESCc1cc(CC(C)C)cc(N2CCCC2)n1
InChIInChI=1S/C14H22N2/c1-11(2)8-13-9-12(3)15-14(10-13)16-6-4-5-7-16/h9-11H,4-8H2,1-3H3
InChIKeyOXAPBNBRZVBCNG-UHFFFAOYSA-N
XLogP3.19
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 ≤ 53.19
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-methyl-4-(2-methylpropyl)-6-pyrrolidin-1-ylpyridine?
The IUPAC name of 2-methyl-4-(2-methylpropyl)-6-pyrrolidin-1-ylpyridine (CID 157425014) is 2-methyl-4-(2-methylpropyl)-6-pyrrolidin-1-ylpyridine.
What is the SMILES notation for 2-methyl-4-(2-methylpropyl)-6-pyrrolidin-1-ylpyridine?
The canonical SMILES for 2-methyl-4-(2-methylpropyl)-6-pyrrolidin-1-ylpyridine is Cc1cc(CC(C)C)cc(N2CCCC2)n1.
What is the InChIKey of 2-methyl-4-(2-methylpropyl)-6-pyrrolidin-1-ylpyridine?
The InChIKey is OXAPBNBRZVBCNG-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H22N2/c1-11(2)8-13-9-12(3)15-14(10-13)16-6-4-5-7-16/h9-11H,4-8H2,1-3H3.
What are the key properties of 2-methyl-4-(2-methylpropyl)-6-pyrrolidin-1-ylpyridine?
2-methyl-4-(2-methylpropyl)-6-pyrrolidin-1-ylpyridine has a molecular weight of 218.34 g/mol, XLogP of 3.19, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-4-(2-methylpropyl)-6-pyrrolidin-1-ylpyridine is sourced from PubChem (CID 157425014), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).