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

C15H30N4 — CID 70025124

IUPAC1-[(E)-3-(2-imidazolidin-2-ylethyl)-2-methylpent-3-en-2-yl]piperazine
SMILESC/C=C(\CCC1NCCN1)C(C)(C)N1CCNCC1
InChIInChI=1S/C15H30N4/c1-4-13(5-6-14-17-7-8-18-14)15(2,3)19-11-9-16-10-12-19/h4,14,16-18H,5-12H2,1-3H3/b13-4+
InChIKeyCUGUZMJQFNSZDZ-YIXHJXPBSA-N
MW266.43 g/mol
LogP0.92
Rot. Bonds5

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

1-[(E)-3-(2-imidazolidin-2-ylethyl)-2-methylpent-3-en-2-yl]piperazine (PubChem CID 70025124) has the molecular formula C15H30N4 and a molecular weight of 266.43 g/mol. Its IUPAC name is 1-[(E)-3-(2-imidazolidin-2-ylethyl)-2-methylpent-3-en-2-yl]piperazine.

Molecular Properties

Compound Name1-[(E)-3-(2-imidazolidin-2-ylethyl)-2-methylpent-3-en-2-yl]piperazine
PubChem CID70025124
Molecular FormulaC15H30N4
Molecular Weight266.43 g/mol
Exact Mass266.25
IUPAC Name1-[(E)-3-(2-imidazolidin-2-ylethyl)-2-methylpent-3-en-2-yl]piperazine
SMILESC/C=C(\CCC1NCCN1)C(C)(C)N1CCNCC1
InChIInChI=1S/C15H30N4/c1-4-13(5-6-14-17-7-8-18-14)15(2,3)19-11-9-16-10-12-19/h4,14,16-18H,5-12H2,1-3H3/b13-4+
InChIKeyCUGUZMJQFNSZDZ-YIXHJXPBSA-N
XLogP0.92
TPSA39.33 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.43
LogP ≤ 50.92
H-Bond Donors ≤ 53
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-[(E)-3-(2-imidazolidin-2-ylethyl)-2-methylpent-3-en-2-yl]piperazine?
The IUPAC name of 1-[(E)-3-(2-imidazolidin-2-ylethyl)-2-methylpent-3-en-2-yl]piperazine (CID 70025124) is 1-[(E)-3-(2-imidazolidin-2-ylethyl)-2-methylpent-3-en-2-yl]piperazine.
What is the SMILES notation for 1-[(E)-3-(2-imidazolidin-2-ylethyl)-2-methylpent-3-en-2-yl]piperazine?
The canonical SMILES for 1-[(E)-3-(2-imidazolidin-2-ylethyl)-2-methylpent-3-en-2-yl]piperazine is C/C=C(\CCC1NCCN1)C(C)(C)N1CCNCC1.
What is the InChIKey of 1-[(E)-3-(2-imidazolidin-2-ylethyl)-2-methylpent-3-en-2-yl]piperazine?
The InChIKey is CUGUZMJQFNSZDZ-YIXHJXPBSA-N. The full InChI is InChI=1S/C15H30N4/c1-4-13(5-6-14-17-7-8-18-14)15(2,3)19-11-9-16-10-12-19/h4,14,16-18H,5-12H2,1-3H3/b13-4+.
What are the key properties of 1-[(E)-3-(2-imidazolidin-2-ylethyl)-2-methylpent-3-en-2-yl]piperazine?
1-[(E)-3-(2-imidazolidin-2-ylethyl)-2-methylpent-3-en-2-yl]piperazine has a molecular weight of 266.43 g/mol, XLogP of 0.92, 5 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(E)-3-(2-imidazolidin-2-ylethyl)-2-methylpent-3-en-2-yl]piperazine is sourced from PubChem (CID 70025124), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).