1-butylpyrazolidine

C7H16N2 — CID 19603994

IUPAC1-butylpyrazolidine
SMILESCCCCN1CCCN1
InChIInChI=1S/C7H16N2/c1-2-3-6-9-7-4-5-8-9/h8H,2-7H2,1H3
InChIKeyVBRYAQVRADPLST-UHFFFAOYSA-N
MW128.22 g/mol
LogP1.00
Rot. Bonds3

About 1-butylpyrazolidine

1-butylpyrazolidine (PubChem CID 19603994) has the molecular formula C7H16N2 and a molecular weight of 128.22 g/mol. Its IUPAC name is 1-butylpyrazolidine.

Molecular Properties

Compound Name1-butylpyrazolidine
PubChem CID19603994
Molecular FormulaC7H16N2
Molecular Weight128.22 g/mol
Exact Mass128.13
IUPAC Name1-butylpyrazolidine
SMILESCCCCN1CCCN1
InChIInChI=1S/C7H16N2/c1-2-3-6-9-7-4-5-8-9/h8H,2-7H2,1H3
InChIKeyVBRYAQVRADPLST-UHFFFAOYSA-N
XLogP1.00
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500128.22
LogP ≤ 51.00
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1-butylpyrazolidine?
The IUPAC name of 1-butylpyrazolidine (CID 19603994) is 1-butylpyrazolidine.
What is the SMILES notation for 1-butylpyrazolidine?
The canonical SMILES for 1-butylpyrazolidine is CCCCN1CCCN1.
What is the InChIKey of 1-butylpyrazolidine?
The InChIKey is VBRYAQVRADPLST-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H16N2/c1-2-3-6-9-7-4-5-8-9/h8H,2-7H2,1H3.
What are the key properties of 1-butylpyrazolidine?
1-butylpyrazolidine has a molecular weight of 128.22 g/mol, XLogP of 1.00, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-butylpyrazolidine is sourced from PubChem (CID 19603994), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).