1,2-ditert-butylpyrazolidine

C11H24N2 — CID 5242023

IUPAC1,2-ditert-butylpyrazolidine
SMILESCC(C)(C)N1CCCN1C(C)(C)C
InChIInChI=1S/C11H24N2/c1-10(2,3)12-8-7-9-13(12)11(4,5)6/h7-9H2,1-6H3
InChIKeyPHEWXTWFFPULJS-UHFFFAOYSA-N
MW184.33 g/mol
LogP2.51
Rot. Bonds

About 1,2-ditert-butylpyrazolidine

1,2-ditert-butylpyrazolidine (PubChem CID 5242023) has the molecular formula C11H24N2 and a molecular weight of 184.33 g/mol. Its IUPAC name is 1,2-ditert-butylpyrazolidine.

Molecular Properties

Compound Name1,2-ditert-butylpyrazolidine
PubChem CID5242023
Molecular FormulaC11H24N2
Molecular Weight184.33 g/mol
Exact Mass184.19
IUPAC Name1,2-ditert-butylpyrazolidine
SMILESCC(C)(C)N1CCCN1C(C)(C)C
InChIInChI=1S/C11H24N2/c1-10(2,3)12-8-7-9-13(12)11(4,5)6/h7-9H2,1-6H3
InChIKeyPHEWXTWFFPULJS-UHFFFAOYSA-N
XLogP2.51
TPSA6.48 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500184.33
LogP ≤ 52.51
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1,2-ditert-butylpyrazolidine?
The IUPAC name of 1,2-ditert-butylpyrazolidine (CID 5242023) is 1,2-ditert-butylpyrazolidine.
What is the SMILES notation for 1,2-ditert-butylpyrazolidine?
The canonical SMILES for 1,2-ditert-butylpyrazolidine is CC(C)(C)N1CCCN1C(C)(C)C.
What is the InChIKey of 1,2-ditert-butylpyrazolidine?
The InChIKey is PHEWXTWFFPULJS-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H24N2/c1-10(2,3)12-8-7-9-13(12)11(4,5)6/h7-9H2,1-6H3.
What are the key properties of 1,2-ditert-butylpyrazolidine?
1,2-ditert-butylpyrazolidine has a molecular weight of 184.33 g/mol, XLogP of 2.51, 0 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1,2-ditert-butylpyrazolidine is sourced from PubChem (CID 5242023), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).