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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Related Compounds

tert-butyl 2-tert-butylpyrazolidine-1-carboxylate;ethane
CID 160607710
1,6-ditert-butyl-1,6-diazacycloundecane
CID 90712737
1-tert-butylazepane;1-tert-butylpiperidine
CID 158450868
1-tert-butylpiperidine;1-tert-butylpyrrolidine;ethane
CID 160950375
1-tert-butyl-2,2-dimethylpyrrolidine
CID 58450080
2-tert-butyl-1,3-dimethyl-1,3,2λ5-diazaphosphinane 2-oxide
CID 164842805
4-tert-butyl-1,4-diazepan-1-amine
CID 58076615
1-tert-butyl-2,2-dimethylpiperidine
CID 161492133
1,3-ditert-butyl-2-methyl-1,3,2λ5-diazaphospholidine 2-oxide
CID 158158962
1-tert-butyl-3-ethyl-3-(fluoromethyl)piperidine
CID 175425681
1,3-ditert-butyl-1,3-diazepan-2-one
CID 59066323
CID 59009704
CID 59009704

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).