2-(2-methylpropyl)-2-pentan-2-ylpyrrolidine

C13H27N — CID 107896608

IUPAC2-(2-methylpropyl)-2-pentan-2-ylpyrrolidine
SMILESCCCC(C)C1(CC(C)C)CCCN1
InChIInChI=1S/C13H27N/c1-5-7-12(4)13(10-11(2)3)8-6-9-14-13/h11-12,14H,5-10H2,1-4H3
InChIKeyYTVPAZJASHHQIN-UHFFFAOYSA-N
MW197.37 g/mol
LogP3.59
Rot. Bonds5

About 2-(2-methylpropyl)-2-pentan-2-ylpyrrolidine

2-(2-methylpropyl)-2-pentan-2-ylpyrrolidine (PubChem CID 107896608) has the molecular formula C13H27N and a molecular weight of 197.37 g/mol. Its IUPAC name is 2-(2-methylpropyl)-2-pentan-2-ylpyrrolidine.

Molecular Properties

Compound Name2-(2-methylpropyl)-2-pentan-2-ylpyrrolidine
PubChem CID107896608
Molecular FormulaC13H27N
Molecular Weight197.37 g/mol
Exact Mass197.21
IUPAC Name2-(2-methylpropyl)-2-pentan-2-ylpyrrolidine
SMILESCCCC(C)C1(CC(C)C)CCCN1
InChIInChI=1S/C13H27N/c1-5-7-12(4)13(10-11(2)3)8-6-9-14-13/h11-12,14H,5-10H2,1-4H3
InChIKeyYTVPAZJASHHQIN-UHFFFAOYSA-N
XLogP3.59
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500197.37
LogP ≤ 53.59
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 2-(2-methylpropyl)-2-pentan-2-ylpyrrolidine?
The IUPAC name of 2-(2-methylpropyl)-2-pentan-2-ylpyrrolidine (CID 107896608) is 2-(2-methylpropyl)-2-pentan-2-ylpyrrolidine.
What is the SMILES notation for 2-(2-methylpropyl)-2-pentan-2-ylpyrrolidine?
The canonical SMILES for 2-(2-methylpropyl)-2-pentan-2-ylpyrrolidine is CCCC(C)C1(CC(C)C)CCCN1.
What is the InChIKey of 2-(2-methylpropyl)-2-pentan-2-ylpyrrolidine?
The InChIKey is YTVPAZJASHHQIN-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H27N/c1-5-7-12(4)13(10-11(2)3)8-6-9-14-13/h11-12,14H,5-10H2,1-4H3.
What are the key properties of 2-(2-methylpropyl)-2-pentan-2-ylpyrrolidine?
2-(2-methylpropyl)-2-pentan-2-ylpyrrolidine has a molecular weight of 197.37 g/mol, XLogP of 3.59, 5 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-methylpropyl)-2-pentan-2-ylpyrrolidine is sourced from PubChem (CID 107896608), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).