1-[2-(4-ethylpiperazin-1-yl)ethyl]-2-(2-methylprop-2-enyl)guanidine

C13H27N5 — CID 111057242

IUPAC1-[2-(4-ethylpiperazin-1-yl)ethyl]-2-(2-methylprop-2-enyl)guanidine
SMILESC=C(C)C/N=C(\N)NCCN1CCN(CC)CC1
InChIInChI=1S/C13H27N5/c1-4-17-7-9-18(10-8-17)6-5-15-13(14)16-11-12(2)3/h2,4-11H2,1,3H3,(H3,14,15,16)
InChIKeyIPYICIFISCVFML-UHFFFAOYSA-N
MW253.39 g/mol
LogP0.10
Rot. Bonds6

About 1-[2-(4-ethylpiperazin-1-yl)ethyl]-2-(2-methylprop-2-enyl)guanidine

1-[2-(4-ethylpiperazin-1-yl)ethyl]-2-(2-methylprop-2-enyl)guanidine (PubChem CID 111057242) has the molecular formula C13H27N5 and a molecular weight of 253.39 g/mol. Its IUPAC name is 1-[2-(4-ethylpiperazin-1-yl)ethyl]-2-(2-methylprop-2-enyl)guanidine.

Molecular Properties

Compound Name1-[2-(4-ethylpiperazin-1-yl)ethyl]-2-(2-methylprop-2-enyl)guanidine
PubChem CID111057242
Molecular FormulaC13H27N5
Molecular Weight253.39 g/mol
Exact Mass253.23
IUPAC Name1-[2-(4-ethylpiperazin-1-yl)ethyl]-2-(2-methylprop-2-enyl)guanidine
SMILESC=C(C)C/N=C(\N)NCCN1CCN(CC)CC1
InChIInChI=1S/C13H27N5/c1-4-17-7-9-18(10-8-17)6-5-15-13(14)16-11-12(2)3/h2,4-11H2,1,3H3,(H3,14,15,16)
InChIKeyIPYICIFISCVFML-UHFFFAOYSA-N
XLogP0.10
TPSA56.89 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500253.39
LogP ≤ 50.10
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'imine_2', 'substructure': 'N/A'}, {'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Related Compounds

2-(2-Methylprop-2-enyl)-1-[2-[methyl(2,2,2-trifluoroethyl)amino]ethyl]guanidine
CID 111803220
N'-propylpiperazine-1-carboximidamide
CID 54213238
1-[4-Methyl-1-(3-methylbut-2-enyl)-4,5-dihydroimidazol-2-yl]piperazine
CID 91388993
N'-prop-2-enylpiperazine-1-carboximidamide
CID 123817252
1-methylidene-3-[(Z)-N'-[(4-methylpiperazin-1-yl)methyl]-N-prop-2-enylcarbamimidoyl]-2-prop-2-enylguanidine
CID 142101601
5-methyl-2-[(3R,5S)-3,4,5-trimethylpiperazin-1-yl]-1,4-dihydropyrimidine
CID 143698801
5-Methyl-2-(4-methylpiperazin-1-yl)-1,4-dihydropyrimidine
CID 145274823
1-(2-Aminoethyl)-2-(3-methylbut-2-enyl)guanidine
CID 24879370
2-[2-Methyl-2-(4-methylpiperazin-1-yl)propyl]-1-prop-2-enylguanidine;hydroiodide
CID 54732009
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
1-[2-(4-Methylpiperazin-1-yl)ethyl]-2-(2-methylpropyl)guanidine
CID 55063998

Frequently Asked Questions

What is the IUPAC name of 1-[2-(4-ethylpiperazin-1-yl)ethyl]-2-(2-methylprop-2-enyl)guanidine?
The IUPAC name of 1-[2-(4-ethylpiperazin-1-yl)ethyl]-2-(2-methylprop-2-enyl)guanidine (CID 111057242) is 1-[2-(4-ethylpiperazin-1-yl)ethyl]-2-(2-methylprop-2-enyl)guanidine.
What is the SMILES notation for 1-[2-(4-ethylpiperazin-1-yl)ethyl]-2-(2-methylprop-2-enyl)guanidine?
The canonical SMILES for 1-[2-(4-ethylpiperazin-1-yl)ethyl]-2-(2-methylprop-2-enyl)guanidine is C=C(C)C/N=C(\N)NCCN1CCN(CC)CC1.
What is the InChIKey of 1-[2-(4-ethylpiperazin-1-yl)ethyl]-2-(2-methylprop-2-enyl)guanidine?
The InChIKey is IPYICIFISCVFML-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H27N5/c1-4-17-7-9-18(10-8-17)6-5-15-13(14)16-11-12(2)3/h2,4-11H2,1,3H3,(H3,14,15,16).
What are the key properties of 1-[2-(4-ethylpiperazin-1-yl)ethyl]-2-(2-methylprop-2-enyl)guanidine?
1-[2-(4-ethylpiperazin-1-yl)ethyl]-2-(2-methylprop-2-enyl)guanidine has a molecular weight of 253.39 g/mol, XLogP of 0.10, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-(4-ethylpiperazin-1-yl)ethyl]-2-(2-methylprop-2-enyl)guanidine is sourced from PubChem (CID 111057242), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).