3,4-ditert-butyl-1-propylpyrazolidine

C14H30N2 — CID 59996866

IUPAC3,4-ditert-butyl-1-propylpyrazolidine
SMILESCCCN1CC(C(C)(C)C)C(C(C)(C)C)N1
InChIInChI=1S/C14H30N2/c1-8-9-16-10-11(13(2,3)4)12(15-16)14(5,6)7/h11-12,15H,8-10H2,1-7H3
InChIKeyUIYZXYUERCIMOV-UHFFFAOYSA-N
MW226.41 g/mol
LogP3.29
Rot. Bonds2

About 3,4-ditert-butyl-1-propylpyrazolidine

3,4-ditert-butyl-1-propylpyrazolidine (PubChem CID 59996866) has the molecular formula C14H30N2 and a molecular weight of 226.41 g/mol. Its IUPAC name is 3,4-ditert-butyl-1-propylpyrazolidine.

Molecular Properties

Compound Name3,4-ditert-butyl-1-propylpyrazolidine
PubChem CID59996866
Molecular FormulaC14H30N2
Molecular Weight226.41 g/mol
Exact Mass226.24
IUPAC Name3,4-ditert-butyl-1-propylpyrazolidine
SMILESCCCN1CC(C(C)(C)C)C(C(C)(C)C)N1
InChIInChI=1S/C14H30N2/c1-8-9-16-10-11(13(2,3)4)12(15-16)14(5,6)7/h11-12,15H,8-10H2,1-7H3
InChIKeyUIYZXYUERCIMOV-UHFFFAOYSA-N
XLogP3.29
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500226.41
LogP ≤ 53.29
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 3,4-ditert-butyl-1-propylpyrazolidine?
The IUPAC name of 3,4-ditert-butyl-1-propylpyrazolidine (CID 59996866) is 3,4-ditert-butyl-1-propylpyrazolidine.
What is the SMILES notation for 3,4-ditert-butyl-1-propylpyrazolidine?
The canonical SMILES for 3,4-ditert-butyl-1-propylpyrazolidine is CCCN1CC(C(C)(C)C)C(C(C)(C)C)N1.
What is the InChIKey of 3,4-ditert-butyl-1-propylpyrazolidine?
The InChIKey is UIYZXYUERCIMOV-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H30N2/c1-8-9-16-10-11(13(2,3)4)12(15-16)14(5,6)7/h11-12,15H,8-10H2,1-7H3.
What are the key properties of 3,4-ditert-butyl-1-propylpyrazolidine?
3,4-ditert-butyl-1-propylpyrazolidine has a molecular weight of 226.41 g/mol, XLogP of 3.29, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3,4-ditert-butyl-1-propylpyrazolidine is sourced from PubChem (CID 59996866), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).