1-pyrazolidin-1-ylethanamine

C5H13N3 — CID 67244967

IUPAC1-pyrazolidin-1-ylethanamine
SMILESCC(N)N1CCCN1
InChIInChI=1S/C5H13N3/c1-5(6)8-4-2-3-7-8/h5,7H,2-4,6H2,1H3
InChIKeyMDHBCACEVBEXST-UHFFFAOYSA-N
MW115.18 g/mol
LogP-0.50
Rot. Bonds1

About 1-pyrazolidin-1-ylethanamine

1-pyrazolidin-1-ylethanamine (PubChem CID 67244967) has the molecular formula C5H13N3 and a molecular weight of 115.18 g/mol. Its IUPAC name is 1-pyrazolidin-1-ylethanamine.

Molecular Properties

Compound Name1-pyrazolidin-1-ylethanamine
PubChem CID67244967
Molecular FormulaC5H13N3
Molecular Weight115.18 g/mol
Exact Mass115.11
IUPAC Name1-pyrazolidin-1-ylethanamine
SMILESCC(N)N1CCCN1
InChIInChI=1S/C5H13N3/c1-5(6)8-4-2-3-7-8/h5,7H,2-4,6H2,1H3
InChIKeyMDHBCACEVBEXST-UHFFFAOYSA-N
XLogP-0.50
TPSA41.29 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500115.18
LogP ≤ 5-0.50
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-pyrazolidin-1-ylethanamine?
The IUPAC name of 1-pyrazolidin-1-ylethanamine (CID 67244967) is 1-pyrazolidin-1-ylethanamine.
What is the SMILES notation for 1-pyrazolidin-1-ylethanamine?
The canonical SMILES for 1-pyrazolidin-1-ylethanamine is CC(N)N1CCCN1.
What is the InChIKey of 1-pyrazolidin-1-ylethanamine?
The InChIKey is MDHBCACEVBEXST-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H13N3/c1-5(6)8-4-2-3-7-8/h5,7H,2-4,6H2,1H3.
What are the key properties of 1-pyrazolidin-1-ylethanamine?
1-pyrazolidin-1-ylethanamine has a molecular weight of 115.18 g/mol, XLogP of -0.50, 1 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-pyrazolidin-1-ylethanamine is sourced from PubChem (CID 67244967), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).