1,2,5-tri(propan-2-yl)pyrrolidine

C13H27N — CID 58779096

IUPAC1,2,5-tri(propan-2-yl)pyrrolidine
SMILESCC(C)C1CCC(C(C)C)N1C(C)C
InChIInChI=1S/C13H27N/c1-9(2)12-7-8-13(10(3)4)14(12)11(5)6/h9-13H,7-8H2,1-6H3
InChIKeyLMHBEZPSFHIPPA-UHFFFAOYSA-N
MW197.37 g/mol
LogP3.54
Rot. Bonds3

About 1,2,5-tri(propan-2-yl)pyrrolidine

1,2,5-tri(propan-2-yl)pyrrolidine (PubChem CID 58779096) has the molecular formula C13H27N and a molecular weight of 197.37 g/mol. Its IUPAC name is 1,2,5-tri(propan-2-yl)pyrrolidine.

Molecular Properties

Compound Name1,2,5-tri(propan-2-yl)pyrrolidine
PubChem CID58779096
Molecular FormulaC13H27N
Molecular Weight197.37 g/mol
Exact Mass197.21
IUPAC Name1,2,5-tri(propan-2-yl)pyrrolidine
SMILESCC(C)C1CCC(C(C)C)N1C(C)C
InChIInChI=1S/C13H27N/c1-9(2)12-7-8-13(10(3)4)14(12)11(5)6/h9-13H,7-8H2,1-6H3
InChIKeyLMHBEZPSFHIPPA-UHFFFAOYSA-N
XLogP3.54
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500197.37
LogP ≤ 53.54
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Analyze 1,2,5-tri(propan-2-yl)pyrrolidine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 1,2,5-tri(propan-2-yl)pyrrolidine?
The IUPAC name of 1,2,5-tri(propan-2-yl)pyrrolidine (CID 58779096) is 1,2,5-tri(propan-2-yl)pyrrolidine.
What is the SMILES notation for 1,2,5-tri(propan-2-yl)pyrrolidine?
The canonical SMILES for 1,2,5-tri(propan-2-yl)pyrrolidine is CC(C)C1CCC(C(C)C)N1C(C)C.
What is the InChIKey of 1,2,5-tri(propan-2-yl)pyrrolidine?
The InChIKey is LMHBEZPSFHIPPA-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H27N/c1-9(2)12-7-8-13(10(3)4)14(12)11(5)6/h9-13H,7-8H2,1-6H3.
What are the key properties of 1,2,5-tri(propan-2-yl)pyrrolidine?
1,2,5-tri(propan-2-yl)pyrrolidine has a molecular weight of 197.37 g/mol, XLogP of 3.54, 3 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1,2,5-tri(propan-2-yl)pyrrolidine is sourced from PubChem (CID 58779096), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).