2-[2-(4-ethylpiperazin-1-yl)propyl]-1-prop-2-enylguanidine;hydroiodide

C13H28IN5 — CID 110927121

IUPAC2-[2-(4-ethylpiperazin-1-yl)propyl]-1-prop-2-enylguanidine;hydroiodide
SMILESC=CCN/C(N)=N/CC(C)N1CCN(CC)CC1.I
InChIInChI=1S/C13H27N5.HI/c1-4-6-15-13(14)16-11-12(3)18-9-7-17(5-2)8-10-18;/h4,12H,1,5-11H2,2-3H3,(H3,14,15,16);1H
InChIKeyXRFGTPLDTGSALM-UHFFFAOYSA-N
MW381.31 g/mol
LogP0.72
Rot. Bonds6

About 2-[2-(4-ethylpiperazin-1-yl)propyl]-1-prop-2-enylguanidine;hydroiodide

2-[2-(4-ethylpiperazin-1-yl)propyl]-1-prop-2-enylguanidine;hydroiodide (PubChem CID 110927121) has the molecular formula C13H28IN5 and a molecular weight of 381.31 g/mol. Its IUPAC name is 2-[2-(4-ethylpiperazin-1-yl)propyl]-1-prop-2-enylguanidine;hydroiodide.

Molecular Properties

Compound Name2-[2-(4-ethylpiperazin-1-yl)propyl]-1-prop-2-enylguanidine;hydroiodide
PubChem CID110927121
Molecular FormulaC13H28IN5
Molecular Weight381.31 g/mol
Exact Mass381.14
IUPAC Name2-[2-(4-ethylpiperazin-1-yl)propyl]-1-prop-2-enylguanidine;hydroiodide
SMILESC=CCN/C(N)=N/CC(C)N1CCN(CC)CC1.I
InChIInChI=1S/C13H27N5.HI/c1-4-6-15-13(14)16-11-12(3)18-9-7-17(5-2)8-10-18;/h4,12H,1,5-11H2,2-3H3,(H3,14,15,16);1H
InChIKeyXRFGTPLDTGSALM-UHFFFAOYSA-N
XLogP0.72
TPSA56.89 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500381.31
LogP ≤ 50.72
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': 'iodine', 'substructure': 'N/A'}, {'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Related Compounds

2-[2-(4-ethylpiperazin-1-yl)propyl]-1-phenylguanidine;hydroiodide
CID 110927127
2-[2-(4-ethylpiperazin-1-yl)propyl]-1-(3-morpholin-4-ylpropyl)guanidine;hydroiodide
CID 111056058
1-cyclohexyl-2-[2-(4-ethylpiperazin-1-yl)propyl]guanidine
CID 111056027
1-(2,6-diethylphenyl)-2-[2-(4-ethylpiperazin-1-yl)propyl]guanidine;hydroiodide
CID 111056052
2-[2-(4-ethylpiperazin-1-yl)propyl]-1-[4-(trifluoromethoxy)phenyl]guanidine;hydroiodide
CID 111056062
1-ethyl-2-(2-morpholin-4-ylpropyl)guanidine
CID 111055251
2-(2,2-difluoroethyl)-1-prop-2-enylguanidine
CID 131202418
N-ethyl-N'-[2-(4-ethylpiperazin-1-yl)propyl]-3-methylpiperidine-1-carboximidamide;hydroiodide
CID 111145103
1-ethyl-2-[2-(4-ethylpiperazin-1-yl)propyl]-3-(4-methylpentyl)guanidine;hydroiodide
CID 111943250
1-(3,4-dihydro-2H-chromen-4-yl)-2-[2-(4-ethylpiperazin-1-yl)propyl]guanidine;hydroiodide
CID 111598659
1-ethyl-2-[2-(4-ethylpiperazin-1-yl)propyl]-3-octan-2-ylguanidine;hydroiodide
CID 111212368
2-[3-(4-ethylpiperazin-1-yl)-2-methylpropyl]-1-(2-methoxyethyl)guanidine;hydroiodide
CID 110927369

Frequently Asked Questions

What is the IUPAC name of 2-[2-(4-ethylpiperazin-1-yl)propyl]-1-prop-2-enylguanidine;hydroiodide?
The IUPAC name of 2-[2-(4-ethylpiperazin-1-yl)propyl]-1-prop-2-enylguanidine;hydroiodide (CID 110927121) is 2-[2-(4-ethylpiperazin-1-yl)propyl]-1-prop-2-enylguanidine;hydroiodide.
What is the SMILES notation for 2-[2-(4-ethylpiperazin-1-yl)propyl]-1-prop-2-enylguanidine;hydroiodide?
The canonical SMILES for 2-[2-(4-ethylpiperazin-1-yl)propyl]-1-prop-2-enylguanidine;hydroiodide is C=CCN/C(N)=N/CC(C)N1CCN(CC)CC1.I.
What is the InChIKey of 2-[2-(4-ethylpiperazin-1-yl)propyl]-1-prop-2-enylguanidine;hydroiodide?
The InChIKey is XRFGTPLDTGSALM-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H27N5.HI/c1-4-6-15-13(14)16-11-12(3)18-9-7-17(5-2)8-10-18;/h4,12H,1,5-11H2,2-3H3,(H3,14,15,16);1H.
What are the key properties of 2-[2-(4-ethylpiperazin-1-yl)propyl]-1-prop-2-enylguanidine;hydroiodide?
2-[2-(4-ethylpiperazin-1-yl)propyl]-1-prop-2-enylguanidine;hydroiodide has a molecular weight of 381.31 g/mol, XLogP of 0.72, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-(4-ethylpiperazin-1-yl)propyl]-1-prop-2-enylguanidine;hydroiodide is sourced from PubChem (CID 110927121), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).