3-tert-butyl-1-(2-methylpropyl)pyrrolidine

C12H25N — CID 58227813

IUPAC3-tert-butyl-1-(2-methylpropyl)pyrrolidine
SMILESCC(C)CN1CCC(C(C)(C)C)C1
InChIInChI=1S/C12H25N/c1-10(2)8-13-7-6-11(9-13)12(3,4)5/h10-11H,6-9H2,1-5H3
InChIKeyIVYSNOSARDGBHO-UHFFFAOYSA-N
MW183.34 g/mol
LogP3.01
Rot. Bonds2

About 3-tert-butyl-1-(2-methylpropyl)pyrrolidine

3-tert-butyl-1-(2-methylpropyl)pyrrolidine (PubChem CID 58227813) has the molecular formula C12H25N and a molecular weight of 183.34 g/mol. Its IUPAC name is 3-tert-butyl-1-(2-methylpropyl)pyrrolidine.

Molecular Properties

Compound Name3-tert-butyl-1-(2-methylpropyl)pyrrolidine
PubChem CID58227813
Molecular FormulaC12H25N
Molecular Weight183.34 g/mol
Exact Mass183.20
IUPAC Name3-tert-butyl-1-(2-methylpropyl)pyrrolidine
SMILESCC(C)CN1CCC(C(C)(C)C)C1
InChIInChI=1S/C12H25N/c1-10(2)8-13-7-6-11(9-13)12(3,4)5/h10-11H,6-9H2,1-5H3
InChIKeyIVYSNOSARDGBHO-UHFFFAOYSA-N
XLogP3.01
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500183.34
LogP ≤ 53.01
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 3-tert-butyl-1-(2-methylpropyl)pyrrolidine?
The IUPAC name of 3-tert-butyl-1-(2-methylpropyl)pyrrolidine (CID 58227813) is 3-tert-butyl-1-(2-methylpropyl)pyrrolidine.
What is the SMILES notation for 3-tert-butyl-1-(2-methylpropyl)pyrrolidine?
The canonical SMILES for 3-tert-butyl-1-(2-methylpropyl)pyrrolidine is CC(C)CN1CCC(C(C)(C)C)C1.
What is the InChIKey of 3-tert-butyl-1-(2-methylpropyl)pyrrolidine?
The InChIKey is IVYSNOSARDGBHO-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H25N/c1-10(2)8-13-7-6-11(9-13)12(3,4)5/h10-11H,6-9H2,1-5H3.
What are the key properties of 3-tert-butyl-1-(2-methylpropyl)pyrrolidine?
3-tert-butyl-1-(2-methylpropyl)pyrrolidine has a molecular weight of 183.34 g/mol, XLogP of 3.01, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3-tert-butyl-1-(2-methylpropyl)pyrrolidine is sourced from PubChem (CID 58227813), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).