1-hexylpyrazolidine

C9H20N2 — CID 54470797

IUPAC1-hexylpyrazolidine
SMILESCCCCCCN1CCCN1
InChIInChI=1S/C9H20N2/c1-2-3-4-5-8-11-9-6-7-10-11/h10H,2-9H2,1H3
InChIKeyYEUOXUHIXXCPLK-UHFFFAOYSA-N
MW156.27 g/mol
LogP1.78
Rot. Bonds5

About 1-hexylpyrazolidine

1-hexylpyrazolidine (PubChem CID 54470797) has the molecular formula C9H20N2 and a molecular weight of 156.27 g/mol. Its IUPAC name is 1-hexylpyrazolidine.

Molecular Properties

Compound Name1-hexylpyrazolidine
PubChem CID54470797
Molecular FormulaC9H20N2
Molecular Weight156.27 g/mol
Exact Mass156.16
IUPAC Name1-hexylpyrazolidine
SMILESCCCCCCN1CCCN1
InChIInChI=1S/C9H20N2/c1-2-3-4-5-8-11-9-6-7-10-11/h10H,2-9H2,1H3
InChIKeyYEUOXUHIXXCPLK-UHFFFAOYSA-N
XLogP1.78
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500156.27
LogP ≤ 51.78
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 1-hexylpyrazolidine?
The IUPAC name of 1-hexylpyrazolidine (CID 54470797) is 1-hexylpyrazolidine.
What is the SMILES notation for 1-hexylpyrazolidine?
The canonical SMILES for 1-hexylpyrazolidine is CCCCCCN1CCCN1.
What is the InChIKey of 1-hexylpyrazolidine?
The InChIKey is YEUOXUHIXXCPLK-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H20N2/c1-2-3-4-5-8-11-9-6-7-10-11/h10H,2-9H2,1H3.
What are the key properties of 1-hexylpyrazolidine?
1-hexylpyrazolidine has a molecular weight of 156.27 g/mol, XLogP of 1.78, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-hexylpyrazolidine is sourced from PubChem (CID 54470797), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).