N-[2-(4-prop-2-enylpiperazin-1-yl)ethyl]prop-2-en-1-amine

C12H23N3 — CID 171323299

IUPACN-[2-(4-prop-2-enylpiperazin-1-yl)ethyl]prop-2-en-1-amine
SMILESC=CCNCCN1CCN(CC=C)CC1
InChIInChI=1S/C12H23N3/c1-3-5-13-6-8-15-11-9-14(7-4-2)10-12-15/h3-4,13H,1-2,5-12H2
InChIKeyGGWKTEMCRGROKQ-UHFFFAOYSA-N
MW209.34 g/mol
LogP0.57
Rot. Bonds7

About N-[2-(4-prop-2-enylpiperazin-1-yl)ethyl]prop-2-en-1-amine

N-[2-(4-prop-2-enylpiperazin-1-yl)ethyl]prop-2-en-1-amine (PubChem CID 171323299) has the molecular formula C12H23N3 and a molecular weight of 209.34 g/mol. Its IUPAC name is N-[2-(4-prop-2-enylpiperazin-1-yl)ethyl]prop-2-en-1-amine.

Molecular Properties

Compound NameN-[2-(4-prop-2-enylpiperazin-1-yl)ethyl]prop-2-en-1-amine
PubChem CID171323299
Molecular FormulaC12H23N3
Molecular Weight209.34 g/mol
Exact Mass209.19
IUPAC NameN-[2-(4-prop-2-enylpiperazin-1-yl)ethyl]prop-2-en-1-amine
SMILESC=CCNCCN1CCN(CC=C)CC1
InChIInChI=1S/C12H23N3/c1-3-5-13-6-8-15-11-9-14(7-4-2)10-12-15/h3-4,13H,1-2,5-12H2
InChIKeyGGWKTEMCRGROKQ-UHFFFAOYSA-N
XLogP0.57
TPSA18.51 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500209.34
LogP ≤ 50.57
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of N-[2-(4-prop-2-enylpiperazin-1-yl)ethyl]prop-2-en-1-amine?
The IUPAC name of N-[2-(4-prop-2-enylpiperazin-1-yl)ethyl]prop-2-en-1-amine (CID 171323299) is N-[2-(4-prop-2-enylpiperazin-1-yl)ethyl]prop-2-en-1-amine.
What is the SMILES notation for N-[2-(4-prop-2-enylpiperazin-1-yl)ethyl]prop-2-en-1-amine?
The canonical SMILES for N-[2-(4-prop-2-enylpiperazin-1-yl)ethyl]prop-2-en-1-amine is C=CCNCCN1CCN(CC=C)CC1.
What is the InChIKey of N-[2-(4-prop-2-enylpiperazin-1-yl)ethyl]prop-2-en-1-amine?
The InChIKey is GGWKTEMCRGROKQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H23N3/c1-3-5-13-6-8-15-11-9-14(7-4-2)10-12-15/h3-4,13H,1-2,5-12H2.
What are the key properties of N-[2-(4-prop-2-enylpiperazin-1-yl)ethyl]prop-2-en-1-amine?
N-[2-(4-prop-2-enylpiperazin-1-yl)ethyl]prop-2-en-1-amine has a molecular weight of 209.34 g/mol, XLogP of 0.57, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(4-prop-2-enylpiperazin-1-yl)ethyl]prop-2-en-1-amine is sourced from PubChem (CID 171323299), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).