1-[3-(2-imidazolidin-1-ylethyl)-2-methylpent-3-en-2-yl]piperazine

C15H30N4 — CID 70025128

IUPAC1-[3-(2-imidazolidin-1-ylethyl)-2-methylpent-3-en-2-yl]piperazine
SMILESCC=C(CCN1CCNC1)C(C)(C)N1CCNCC1
InChIInChI=1S/C15H30N4/c1-4-14(5-9-18-10-6-17-13-18)15(2,3)19-11-7-16-8-12-19/h4,16-17H,5-13H2,1-3H3
InChIKeyUFQNONAHNFQOHZ-UHFFFAOYSA-N
MW266.43 g/mol
LogP0.87
Rot. Bonds5

About 1-[3-(2-imidazolidin-1-ylethyl)-2-methylpent-3-en-2-yl]piperazine

1-[3-(2-imidazolidin-1-ylethyl)-2-methylpent-3-en-2-yl]piperazine (PubChem CID 70025128) has the molecular formula C15H30N4 and a molecular weight of 266.43 g/mol. Its IUPAC name is 1-[3-(2-imidazolidin-1-ylethyl)-2-methylpent-3-en-2-yl]piperazine.

Molecular Properties

Compound Name1-[3-(2-imidazolidin-1-ylethyl)-2-methylpent-3-en-2-yl]piperazine
PubChem CID70025128
Molecular FormulaC15H30N4
Molecular Weight266.43 g/mol
Exact Mass266.25
IUPAC Name1-[3-(2-imidazolidin-1-ylethyl)-2-methylpent-3-en-2-yl]piperazine
SMILESCC=C(CCN1CCNC1)C(C)(C)N1CCNCC1
InChIInChI=1S/C15H30N4/c1-4-14(5-9-18-10-6-17-13-18)15(2,3)19-11-7-16-8-12-19/h4,16-17H,5-13H2,1-3H3
InChIKeyUFQNONAHNFQOHZ-UHFFFAOYSA-N
XLogP0.87
TPSA30.54 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.43
LogP ≤ 50.87
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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-[3-(2-imidazolidin-1-ylethyl)-2-methylpent-3-en-2-yl]piperazine?
The IUPAC name of 1-[3-(2-imidazolidin-1-ylethyl)-2-methylpent-3-en-2-yl]piperazine (CID 70025128) is 1-[3-(2-imidazolidin-1-ylethyl)-2-methylpent-3-en-2-yl]piperazine.
What is the SMILES notation for 1-[3-(2-imidazolidin-1-ylethyl)-2-methylpent-3-en-2-yl]piperazine?
The canonical SMILES for 1-[3-(2-imidazolidin-1-ylethyl)-2-methylpent-3-en-2-yl]piperazine is CC=C(CCN1CCNC1)C(C)(C)N1CCNCC1.
What is the InChIKey of 1-[3-(2-imidazolidin-1-ylethyl)-2-methylpent-3-en-2-yl]piperazine?
The InChIKey is UFQNONAHNFQOHZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H30N4/c1-4-14(5-9-18-10-6-17-13-18)15(2,3)19-11-7-16-8-12-19/h4,16-17H,5-13H2,1-3H3.
What are the key properties of 1-[3-(2-imidazolidin-1-ylethyl)-2-methylpent-3-en-2-yl]piperazine?
1-[3-(2-imidazolidin-1-ylethyl)-2-methylpent-3-en-2-yl]piperazine has a molecular weight of 266.43 g/mol, XLogP of 0.87, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[3-(2-imidazolidin-1-ylethyl)-2-methylpent-3-en-2-yl]piperazine is sourced from PubChem (CID 70025128), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).