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

C12H26IN5 — CID 75482091

IUPAC2-[2-(4-methylpiperazin-1-yl)propyl]-1-prop-2-enylguanidine;hydroiodide
SMILESC=CCN/C(N)=N/CC(C)N1CCN(C)CC1.I
InChIInChI=1S/C12H25N5.HI/c1-4-5-14-12(13)15-10-11(2)17-8-6-16(3)7-9-17;/h4,11H,1,5-10H2,2-3H3,(H3,13,14,15);1H
InChIKeyVUGNEAFQGYQVQM-UHFFFAOYSA-N
MW367.28 g/mol
LogP0.33
Rot. Bonds5

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

2-[2-(4-methylpiperazin-1-yl)propyl]-1-prop-2-enylguanidine;hydroiodide (PubChem CID 75482091) has the molecular formula C12H26IN5 and a molecular weight of 367.28 g/mol. Its IUPAC name is 2-[2-(4-methylpiperazin-1-yl)propyl]-1-prop-2-enylguanidine;hydroiodide.

Molecular Properties

Compound Name2-[2-(4-methylpiperazin-1-yl)propyl]-1-prop-2-enylguanidine;hydroiodide
PubChem CID75482091
Molecular FormulaC12H26IN5
Molecular Weight367.28 g/mol
Exact Mass367.12
IUPAC Name2-[2-(4-methylpiperazin-1-yl)propyl]-1-prop-2-enylguanidine;hydroiodide
SMILESC=CCN/C(N)=N/CC(C)N1CCN(C)CC1.I
InChIInChI=1S/C12H25N5.HI/c1-4-5-14-12(13)15-10-11(2)17-8-6-16(3)7-9-17;/h4,11H,1,5-10H2,2-3H3,(H3,13,14,15);1H
InChIKeyVUGNEAFQGYQVQM-UHFFFAOYSA-N
XLogP0.33
TPSA56.89 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500367.28
LogP ≤ 50.33
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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Frequently Asked Questions

What is the IUPAC name of 2-[2-(4-methylpiperazin-1-yl)propyl]-1-prop-2-enylguanidine;hydroiodide?
The IUPAC name of 2-[2-(4-methylpiperazin-1-yl)propyl]-1-prop-2-enylguanidine;hydroiodide (CID 75482091) is 2-[2-(4-methylpiperazin-1-yl)propyl]-1-prop-2-enylguanidine;hydroiodide.
What is the SMILES notation for 2-[2-(4-methylpiperazin-1-yl)propyl]-1-prop-2-enylguanidine;hydroiodide?
The canonical SMILES for 2-[2-(4-methylpiperazin-1-yl)propyl]-1-prop-2-enylguanidine;hydroiodide is C=CCN/C(N)=N/CC(C)N1CCN(C)CC1.I.
What is the InChIKey of 2-[2-(4-methylpiperazin-1-yl)propyl]-1-prop-2-enylguanidine;hydroiodide?
The InChIKey is VUGNEAFQGYQVQM-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H25N5.HI/c1-4-5-14-12(13)15-10-11(2)17-8-6-16(3)7-9-17;/h4,11H,1,5-10H2,2-3H3,(H3,13,14,15);1H.
What are the key properties of 2-[2-(4-methylpiperazin-1-yl)propyl]-1-prop-2-enylguanidine;hydroiodide?
2-[2-(4-methylpiperazin-1-yl)propyl]-1-prop-2-enylguanidine;hydroiodide has a molecular weight of 367.28 g/mol, XLogP of 0.33, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-(4-methylpiperazin-1-yl)propyl]-1-prop-2-enylguanidine;hydroiodide is sourced from PubChem (CID 75482091), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).