1-[4-methyl-1-(3-methylbut-2-enyl)-4,5-dihydroimidazol-2-yl]piperazine

C13H24N4 — CID 91388993

IUPAC1-[4-methyl-1-(3-methylbut-2-enyl)-4,5-dihydroimidazol-2-yl]piperazine
SMILESCC(C)=CCN1CC(C)N=C1N1CCNCC1
InChIInChI=1S/C13H24N4/c1-11(2)4-7-17-10-12(3)15-13(17)16-8-5-14-6-9-16/h4,12,14H,5-10H2,1-3H3
InChIKeyDUCVBENGJHZSQV-UHFFFAOYSA-N
MW236.36 g/mol
LogP0.92
Rot. Bonds2

About 1-[4-methyl-1-(3-methylbut-2-enyl)-4,5-dihydroimidazol-2-yl]piperazine

1-[4-methyl-1-(3-methylbut-2-enyl)-4,5-dihydroimidazol-2-yl]piperazine (PubChem CID 91388993) has the molecular formula C13H24N4 and a molecular weight of 236.36 g/mol. Its IUPAC name is 1-[4-methyl-1-(3-methylbut-2-enyl)-4,5-dihydroimidazol-2-yl]piperazine.

Molecular Properties

Compound Name1-[4-methyl-1-(3-methylbut-2-enyl)-4,5-dihydroimidazol-2-yl]piperazine
PubChem CID91388993
Molecular FormulaC13H24N4
Molecular Weight236.36 g/mol
Exact Mass236.20
IUPAC Name1-[4-methyl-1-(3-methylbut-2-enyl)-4,5-dihydroimidazol-2-yl]piperazine
SMILESCC(C)=CCN1CC(C)N=C1N1CCNCC1
InChIInChI=1S/C13H24N4/c1-11(2)4-7-17-10-12(3)15-13(17)16-8-5-14-6-9-16/h4,12,14H,5-10H2,1-3H3
InChIKeyDUCVBENGJHZSQV-UHFFFAOYSA-N
XLogP0.92
TPSA30.87 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500236.36
LogP ≤ 50.92
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

(3R,5S)-N',3,5-trimethyl-N-[(Z)-2-methylbut-2-enylidene]piperazine-1-carboximidamide
CID 68343964
1-(1-But-2-enyl-4-methyl-4,5-dihydroimidazol-2-yl)piperazine
CID 90847682
1-(4-Methyl-1-pent-2-enyl-4,5-dihydroimidazol-2-yl)piperazine
CID 90905574
1-[4-Methyl-1-(3-methylbut-2-enyl)-4,5-dihydroimidazol-2-yl]piperidin-3-amine
CID 91352250
5-methyl-2-[(3R,5S)-3,4,5-trimethylpiperazin-1-yl]-1,4-dihydropyrimidine
CID 143698801
2-[2-Methyl-2-(4-methylpiperazin-1-yl)propyl]-1-prop-2-enylguanidine
CID 54732010
2-[2-(4-Methylpiperazin-1-yl)propyl]-1-prop-2-enylguanidine
CID 54738276
2-[2-(4-Methylpiperazin-1-yl)propyl]-1-prop-2-enylguanidine;hydroiodide
CID 75482091
2-[2-(4-Ethylpiperazin-1-yl)propyl]-1-prop-2-enylguanidine;hydroiodide
CID 110927121
2-[2-(4-Ethylpiperazin-1-yl)propyl]-1-prop-2-enylguanidine
CID 110927122
1-[2-(Diethylamino)propyl]-2-methyl-3-prop-2-enylguanidine
CID 110980185
1-[2-(4-Ethylpiperazin-1-yl)propyl]-2-methyl-3-prop-2-enylguanidine;hydroiodide
CID 110980216

Frequently Asked Questions

What is the IUPAC name of 1-[4-methyl-1-(3-methylbut-2-enyl)-4,5-dihydroimidazol-2-yl]piperazine?
The IUPAC name of 1-[4-methyl-1-(3-methylbut-2-enyl)-4,5-dihydroimidazol-2-yl]piperazine (CID 91388993) is 1-[4-methyl-1-(3-methylbut-2-enyl)-4,5-dihydroimidazol-2-yl]piperazine.
What is the SMILES notation for 1-[4-methyl-1-(3-methylbut-2-enyl)-4,5-dihydroimidazol-2-yl]piperazine?
The canonical SMILES for 1-[4-methyl-1-(3-methylbut-2-enyl)-4,5-dihydroimidazol-2-yl]piperazine is CC(C)=CCN1CC(C)N=C1N1CCNCC1.
What is the InChIKey of 1-[4-methyl-1-(3-methylbut-2-enyl)-4,5-dihydroimidazol-2-yl]piperazine?
The InChIKey is DUCVBENGJHZSQV-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H24N4/c1-11(2)4-7-17-10-12(3)15-13(17)16-8-5-14-6-9-16/h4,12,14H,5-10H2,1-3H3.
What are the key properties of 1-[4-methyl-1-(3-methylbut-2-enyl)-4,5-dihydroimidazol-2-yl]piperazine?
1-[4-methyl-1-(3-methylbut-2-enyl)-4,5-dihydroimidazol-2-yl]piperazine has a molecular weight of 236.36 g/mol, XLogP of 0.92, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-methyl-1-(3-methylbut-2-enyl)-4,5-dihydroimidazol-2-yl]piperazine is sourced from PubChem (CID 91388993), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).