2-tert-butyl-4-(5-tert-butylpyrrolidin-2-yl)pyrrolidine

C16H32N2 — CID 58400592

IUPAC2-tert-butyl-4-(5-tert-butylpyrrolidin-2-yl)pyrrolidine
SMILESCC(C)(C)C1CC(C2CCC(C(C)(C)C)N2)CN1
InChIInChI=1S/C16H32N2/c1-15(2,3)13-8-7-12(18-13)11-9-14(17-10-11)16(4,5)6/h11-14,17-18H,7-10H2,1-6H3
InChIKeyPPJKWQLMWYDYQI-UHFFFAOYSA-N
MW252.45 g/mol
LogP3.18
Rot. Bonds1

About 2-tert-butyl-4-(5-tert-butylpyrrolidin-2-yl)pyrrolidine

2-tert-butyl-4-(5-tert-butylpyrrolidin-2-yl)pyrrolidine (PubChem CID 58400592) has the molecular formula C16H32N2 and a molecular weight of 252.45 g/mol. Its IUPAC name is 2-tert-butyl-4-(5-tert-butylpyrrolidin-2-yl)pyrrolidine.

Molecular Properties

Compound Name2-tert-butyl-4-(5-tert-butylpyrrolidin-2-yl)pyrrolidine
PubChem CID58400592
Molecular FormulaC16H32N2
Molecular Weight252.45 g/mol
Exact Mass252.26
IUPAC Name2-tert-butyl-4-(5-tert-butylpyrrolidin-2-yl)pyrrolidine
SMILESCC(C)(C)C1CC(C2CCC(C(C)(C)C)N2)CN1
InChIInChI=1S/C16H32N2/c1-15(2,3)13-8-7-12(18-13)11-9-14(17-10-11)16(4,5)6/h11-14,17-18H,7-10H2,1-6H3
InChIKeyPPJKWQLMWYDYQI-UHFFFAOYSA-N
XLogP3.18
TPSA24.06 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500252.45
LogP ≤ 53.18
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-tert-butyl-4-(5-tert-butylpyrrolidin-2-yl)pyrrolidine?
The IUPAC name of 2-tert-butyl-4-(5-tert-butylpyrrolidin-2-yl)pyrrolidine (CID 58400592) is 2-tert-butyl-4-(5-tert-butylpyrrolidin-2-yl)pyrrolidine.
What is the SMILES notation for 2-tert-butyl-4-(5-tert-butylpyrrolidin-2-yl)pyrrolidine?
The canonical SMILES for 2-tert-butyl-4-(5-tert-butylpyrrolidin-2-yl)pyrrolidine is CC(C)(C)C1CC(C2CCC(C(C)(C)C)N2)CN1.
What is the InChIKey of 2-tert-butyl-4-(5-tert-butylpyrrolidin-2-yl)pyrrolidine?
The InChIKey is PPJKWQLMWYDYQI-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H32N2/c1-15(2,3)13-8-7-12(18-13)11-9-14(17-10-11)16(4,5)6/h11-14,17-18H,7-10H2,1-6H3.
What are the key properties of 2-tert-butyl-4-(5-tert-butylpyrrolidin-2-yl)pyrrolidine?
2-tert-butyl-4-(5-tert-butylpyrrolidin-2-yl)pyrrolidine has a molecular weight of 252.45 g/mol, XLogP of 3.18, 1 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-tert-butyl-4-(5-tert-butylpyrrolidin-2-yl)pyrrolidine is sourced from PubChem (CID 58400592), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).