1-(2-prop-2-enylpiperazin-1-yl)ethanamine

C9H19N3 — CID 70420184

IUPAC1-(2-prop-2-enylpiperazin-1-yl)ethanamine
SMILESC=CCC1CNCCN1C(C)N
InChIInChI=1S/C9H19N3/c1-3-4-9-7-11-5-6-12(9)8(2)10/h3,8-9,11H,1,4-7,10H2,2H3
InChIKeyTYBJKMIESMWITB-UHFFFAOYSA-N
MW169.27 g/mol
LogP0.14
Rot. Bonds3

About 1-(2-prop-2-enylpiperazin-1-yl)ethanamine

1-(2-prop-2-enylpiperazin-1-yl)ethanamine (PubChem CID 70420184) has the molecular formula C9H19N3 and a molecular weight of 169.27 g/mol. Its IUPAC name is 1-(2-prop-2-enylpiperazin-1-yl)ethanamine.

Molecular Properties

Compound Name1-(2-prop-2-enylpiperazin-1-yl)ethanamine
PubChem CID70420184
Molecular FormulaC9H19N3
Molecular Weight169.27 g/mol
Exact Mass169.16
IUPAC Name1-(2-prop-2-enylpiperazin-1-yl)ethanamine
SMILESC=CCC1CNCCN1C(C)N
InChIInChI=1S/C9H19N3/c1-3-4-9-7-11-5-6-12(9)8(2)10/h3,8-9,11H,1,4-7,10H2,2H3
InChIKeyTYBJKMIESMWITB-UHFFFAOYSA-N
XLogP0.14
TPSA41.29 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500169.27
LogP ≤ 50.14
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 1-(2-prop-2-enylpiperazin-1-yl)ethanamine?
The IUPAC name of 1-(2-prop-2-enylpiperazin-1-yl)ethanamine (CID 70420184) is 1-(2-prop-2-enylpiperazin-1-yl)ethanamine.
What is the SMILES notation for 1-(2-prop-2-enylpiperazin-1-yl)ethanamine?
The canonical SMILES for 1-(2-prop-2-enylpiperazin-1-yl)ethanamine is C=CCC1CNCCN1C(C)N.
What is the InChIKey of 1-(2-prop-2-enylpiperazin-1-yl)ethanamine?
The InChIKey is TYBJKMIESMWITB-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H19N3/c1-3-4-9-7-11-5-6-12(9)8(2)10/h3,8-9,11H,1,4-7,10H2,2H3.
What are the key properties of 1-(2-prop-2-enylpiperazin-1-yl)ethanamine?
1-(2-prop-2-enylpiperazin-1-yl)ethanamine has a molecular weight of 169.27 g/mol, XLogP of 0.14, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-prop-2-enylpiperazin-1-yl)ethanamine is sourced from PubChem (CID 70420184), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).