1-prop-2-enylpiperazin-2-amine

C7H15N3 — CID 66775228

IUPAC1-prop-2-enylpiperazin-2-amine
SMILESC=CCN1CCNCC1N
InChIInChI=1S/C7H15N3/c1-2-4-10-5-3-9-6-7(10)8/h2,7,9H,1,3-6,8H2
InChIKeyDAECQOIFNIFWGV-UHFFFAOYSA-N
MW141.22 g/mol
LogP-0.64
Rot. Bonds2

About 1-prop-2-enylpiperazin-2-amine

1-prop-2-enylpiperazin-2-amine (PubChem CID 66775228) has the molecular formula C7H15N3 and a molecular weight of 141.22 g/mol. Its IUPAC name is 1-prop-2-enylpiperazin-2-amine.

Molecular Properties

Compound Name1-prop-2-enylpiperazin-2-amine
PubChem CID66775228
Molecular FormulaC7H15N3
Molecular Weight141.22 g/mol
Exact Mass141.13
IUPAC Name1-prop-2-enylpiperazin-2-amine
SMILESC=CCN1CCNCC1N
InChIInChI=1S/C7H15N3/c1-2-4-10-5-3-9-6-7(10)8/h2,7,9H,1,3-6,8H2
InChIKeyDAECQOIFNIFWGV-UHFFFAOYSA-N
XLogP-0.64
TPSA41.29 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500141.22
LogP ≤ 5-0.64
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-prop-2-enylpiperazin-2-amine?
The IUPAC name of 1-prop-2-enylpiperazin-2-amine (CID 66775228) is 1-prop-2-enylpiperazin-2-amine.
What is the SMILES notation for 1-prop-2-enylpiperazin-2-amine?
The canonical SMILES for 1-prop-2-enylpiperazin-2-amine is C=CCN1CCNCC1N.
What is the InChIKey of 1-prop-2-enylpiperazin-2-amine?
The InChIKey is DAECQOIFNIFWGV-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H15N3/c1-2-4-10-5-3-9-6-7(10)8/h2,7,9H,1,3-6,8H2.
What are the key properties of 1-prop-2-enylpiperazin-2-amine?
1-prop-2-enylpiperazin-2-amine has a molecular weight of 141.22 g/mol, XLogP of -0.64, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-prop-2-enylpiperazin-2-amine is sourced from PubChem (CID 66775228), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).