1-propan-2-ylpyrazolidine

C6H14N2 — CID 20597157

IUPAC1-propan-2-ylpyrazolidine
SMILESCC(C)N1CCCN1
InChIInChI=1S/C6H14N2/c1-6(2)8-5-3-4-7-8/h6-7H,3-5H2,1-2H3
InChIKeyLKQOFPMYXITRFI-UHFFFAOYSA-N
MW114.19 g/mol
LogP0.61
Rot. Bonds1

About 1-propan-2-ylpyrazolidine

1-propan-2-ylpyrazolidine (PubChem CID 20597157) has the molecular formula C6H14N2 and a molecular weight of 114.19 g/mol. Its IUPAC name is 1-propan-2-ylpyrazolidine.

Molecular Properties

Compound Name1-propan-2-ylpyrazolidine
PubChem CID20597157
Molecular FormulaC6H14N2
Molecular Weight114.19 g/mol
Exact Mass114.12
IUPAC Name1-propan-2-ylpyrazolidine
SMILESCC(C)N1CCCN1
InChIInChI=1S/C6H14N2/c1-6(2)8-5-3-4-7-8/h6-7H,3-5H2,1-2H3
InChIKeyLKQOFPMYXITRFI-UHFFFAOYSA-N
XLogP0.61
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500114.19
LogP ≤ 50.61
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1-propan-2-ylpyrazolidine?
The IUPAC name of 1-propan-2-ylpyrazolidine (CID 20597157) is 1-propan-2-ylpyrazolidine.
What is the SMILES notation for 1-propan-2-ylpyrazolidine?
The canonical SMILES for 1-propan-2-ylpyrazolidine is CC(C)N1CCCN1.
What is the InChIKey of 1-propan-2-ylpyrazolidine?
The InChIKey is LKQOFPMYXITRFI-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H14N2/c1-6(2)8-5-3-4-7-8/h6-7H,3-5H2,1-2H3.
What are the key properties of 1-propan-2-ylpyrazolidine?
1-propan-2-ylpyrazolidine has a molecular weight of 114.19 g/mol, XLogP of 0.61, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-propan-2-ylpyrazolidine is sourced from PubChem (CID 20597157), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).