1-[3-(2-imidazolidin-1-ylpropan-2-yl)-2,4-dimethylhex-3-en-2-yl]piperazine

C18H36N4 — CID 70026020

IUPAC1-[3-(2-imidazolidin-1-ylpropan-2-yl)-2,4-dimethylhex-3-en-2-yl]piperazine
SMILESCCC(C)=C(C(C)(C)N1CCNCC1)C(C)(C)N1CCNC1
InChIInChI=1S/C18H36N4/c1-7-15(2)16(18(5,6)22-13-10-20-14-22)17(3,4)21-11-8-19-9-12-21/h19-20H,7-14H2,1-6H3
InChIKeyTXJZHKDIMMGYJM-UHFFFAOYSA-N
MW308.51 g/mol
LogP2.04
Rot. Bonds5

About 1-[3-(2-imidazolidin-1-ylpropan-2-yl)-2,4-dimethylhex-3-en-2-yl]piperazine

1-[3-(2-imidazolidin-1-ylpropan-2-yl)-2,4-dimethylhex-3-en-2-yl]piperazine (PubChem CID 70026020) has the molecular formula C18H36N4 and a molecular weight of 308.51 g/mol. Its IUPAC name is 1-[3-(2-imidazolidin-1-ylpropan-2-yl)-2,4-dimethylhex-3-en-2-yl]piperazine.

Molecular Properties

Compound Name1-[3-(2-imidazolidin-1-ylpropan-2-yl)-2,4-dimethylhex-3-en-2-yl]piperazine
PubChem CID70026020
Molecular FormulaC18H36N4
Molecular Weight308.51 g/mol
Exact Mass308.29
IUPAC Name1-[3-(2-imidazolidin-1-ylpropan-2-yl)-2,4-dimethylhex-3-en-2-yl]piperazine
SMILESCCC(C)=C(C(C)(C)N1CCNCC1)C(C)(C)N1CCNC1
InChIInChI=1S/C18H36N4/c1-7-15(2)16(18(5,6)22-13-10-20-14-22)17(3,4)21-11-8-19-9-12-21/h19-20H,7-14H2,1-6H3
InChIKeyTXJZHKDIMMGYJM-UHFFFAOYSA-N
XLogP2.04
TPSA30.54 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500308.51
LogP ≤ 52.04
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-ylpropan-2-yl)-2,4-dimethylhex-3-en-2-yl]piperazine?
The IUPAC name of 1-[3-(2-imidazolidin-1-ylpropan-2-yl)-2,4-dimethylhex-3-en-2-yl]piperazine (CID 70026020) is 1-[3-(2-imidazolidin-1-ylpropan-2-yl)-2,4-dimethylhex-3-en-2-yl]piperazine.
What is the SMILES notation for 1-[3-(2-imidazolidin-1-ylpropan-2-yl)-2,4-dimethylhex-3-en-2-yl]piperazine?
The canonical SMILES for 1-[3-(2-imidazolidin-1-ylpropan-2-yl)-2,4-dimethylhex-3-en-2-yl]piperazine is CCC(C)=C(C(C)(C)N1CCNCC1)C(C)(C)N1CCNC1.
What is the InChIKey of 1-[3-(2-imidazolidin-1-ylpropan-2-yl)-2,4-dimethylhex-3-en-2-yl]piperazine?
The InChIKey is TXJZHKDIMMGYJM-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H36N4/c1-7-15(2)16(18(5,6)22-13-10-20-14-22)17(3,4)21-11-8-19-9-12-21/h19-20H,7-14H2,1-6H3.
What are the key properties of 1-[3-(2-imidazolidin-1-ylpropan-2-yl)-2,4-dimethylhex-3-en-2-yl]piperazine?
1-[3-(2-imidazolidin-1-ylpropan-2-yl)-2,4-dimethylhex-3-en-2-yl]piperazine has a molecular weight of 308.51 g/mol, XLogP of 2.04, 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-ylpropan-2-yl)-2,4-dimethylhex-3-en-2-yl]piperazine is sourced from PubChem (CID 70026020), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).