4-[3-methyl-2-(2-methylpropyl)pyrrolidin-3-yl]pyridine

C14H22N2 — CID 62753369

IUPAC4-[3-methyl-2-(2-methylpropyl)pyrrolidin-3-yl]pyridine
SMILESCC(C)CC1NCCC1(C)c1ccncc1
InChIInChI=1S/C14H22N2/c1-11(2)10-13-14(3,6-9-16-13)12-4-7-15-8-5-12/h4-5,7-8,11,13,16H,6,9-10H2,1-3H3
InChIKeyAFMUPACPKDWZJW-UHFFFAOYSA-N
MW218.34 g/mol
LogP2.75
Rot. Bonds3

About 4-[3-methyl-2-(2-methylpropyl)pyrrolidin-3-yl]pyridine

4-[3-methyl-2-(2-methylpropyl)pyrrolidin-3-yl]pyridine (PubChem CID 62753369) has the molecular formula C14H22N2 and a molecular weight of 218.34 g/mol. Its IUPAC name is 4-[3-methyl-2-(2-methylpropyl)pyrrolidin-3-yl]pyridine.

Molecular Properties

Compound Name4-[3-methyl-2-(2-methylpropyl)pyrrolidin-3-yl]pyridine
PubChem CID62753369
Molecular FormulaC14H22N2
Molecular Weight218.34 g/mol
Exact Mass218.18
IUPAC Name4-[3-methyl-2-(2-methylpropyl)pyrrolidin-3-yl]pyridine
SMILESCC(C)CC1NCCC1(C)c1ccncc1
InChIInChI=1S/C14H22N2/c1-11(2)10-13-14(3,6-9-16-13)12-4-7-15-8-5-12/h4-5,7-8,11,13,16H,6,9-10H2,1-3H3
InChIKeyAFMUPACPKDWZJW-UHFFFAOYSA-N
XLogP2.75
TPSA24.92 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500218.34
LogP ≤ 52.75
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 4-[3-methyl-2-(2-methylpropyl)pyrrolidin-3-yl]pyridine?
The IUPAC name of 4-[3-methyl-2-(2-methylpropyl)pyrrolidin-3-yl]pyridine (CID 62753369) is 4-[3-methyl-2-(2-methylpropyl)pyrrolidin-3-yl]pyridine.
What is the SMILES notation for 4-[3-methyl-2-(2-methylpropyl)pyrrolidin-3-yl]pyridine?
The canonical SMILES for 4-[3-methyl-2-(2-methylpropyl)pyrrolidin-3-yl]pyridine is CC(C)CC1NCCC1(C)c1ccncc1.
What is the InChIKey of 4-[3-methyl-2-(2-methylpropyl)pyrrolidin-3-yl]pyridine?
The InChIKey is AFMUPACPKDWZJW-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H22N2/c1-11(2)10-13-14(3,6-9-16-13)12-4-7-15-8-5-12/h4-5,7-8,11,13,16H,6,9-10H2,1-3H3.
What are the key properties of 4-[3-methyl-2-(2-methylpropyl)pyrrolidin-3-yl]pyridine?
4-[3-methyl-2-(2-methylpropyl)pyrrolidin-3-yl]pyridine has a molecular weight of 218.34 g/mol, XLogP of 2.75, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[3-methyl-2-(2-methylpropyl)pyrrolidin-3-yl]pyridine is sourced from PubChem (CID 62753369), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).