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

C13H27IN4 — CID 110916751

IUPAC2-[2-(4-methylpiperidin-1-yl)propyl]-1-prop-2-enylguanidine;hydroiodide
SMILESC=CCN/C(N)=N/CC(C)N1CCC(C)CC1.I
InChIInChI=1S/C13H26N4.HI/c1-4-7-15-13(14)16-10-12(3)17-8-5-11(2)6-9-17;/h4,11-12H,1,5-10H2,2-3H3,(H3,14,15,16);1H
InChIKeyITODXWLCKITQKU-UHFFFAOYSA-N
MW366.29 g/mol
LogP1.82
Rot. Bonds5

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

2-[2-(4-methylpiperidin-1-yl)propyl]-1-prop-2-enylguanidine;hydroiodide (PubChem CID 110916751) has the molecular formula C13H27IN4 and a molecular weight of 366.29 g/mol. Its IUPAC name is 2-[2-(4-methylpiperidin-1-yl)propyl]-1-prop-2-enylguanidine;hydroiodide.

Molecular Properties

Compound Name2-[2-(4-methylpiperidin-1-yl)propyl]-1-prop-2-enylguanidine;hydroiodide
PubChem CID110916751
Molecular FormulaC13H27IN4
Molecular Weight366.29 g/mol
Exact Mass366.13
IUPAC Name2-[2-(4-methylpiperidin-1-yl)propyl]-1-prop-2-enylguanidine;hydroiodide
SMILESC=CCN/C(N)=N/CC(C)N1CCC(C)CC1.I
InChIInChI=1S/C13H26N4.HI/c1-4-7-15-13(14)16-10-12(3)17-8-5-11(2)6-9-17;/h4,11-12H,1,5-10H2,2-3H3,(H3,14,15,16);1H
InChIKeyITODXWLCKITQKU-UHFFFAOYSA-N
XLogP1.82
TPSA53.65 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500366.29
LogP ≤ 51.82
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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'}

Analyze 2-[2-(4-methylpiperidin-1-yl)propyl]-1-prop-2-enylguanidine;hydroiodide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 2-[2-(4-methylpiperidin-1-yl)propyl]-1-prop-2-enylguanidine;hydroiodide?
The IUPAC name of 2-[2-(4-methylpiperidin-1-yl)propyl]-1-prop-2-enylguanidine;hydroiodide (CID 110916751) is 2-[2-(4-methylpiperidin-1-yl)propyl]-1-prop-2-enylguanidine;hydroiodide.
What is the SMILES notation for 2-[2-(4-methylpiperidin-1-yl)propyl]-1-prop-2-enylguanidine;hydroiodide?
The canonical SMILES for 2-[2-(4-methylpiperidin-1-yl)propyl]-1-prop-2-enylguanidine;hydroiodide is C=CCN/C(N)=N/CC(C)N1CCC(C)CC1.I.
What is the InChIKey of 2-[2-(4-methylpiperidin-1-yl)propyl]-1-prop-2-enylguanidine;hydroiodide?
The InChIKey is ITODXWLCKITQKU-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H26N4.HI/c1-4-7-15-13(14)16-10-12(3)17-8-5-11(2)6-9-17;/h4,11-12H,1,5-10H2,2-3H3,(H3,14,15,16);1H.
What are the key properties of 2-[2-(4-methylpiperidin-1-yl)propyl]-1-prop-2-enylguanidine;hydroiodide?
2-[2-(4-methylpiperidin-1-yl)propyl]-1-prop-2-enylguanidine;hydroiodide has a molecular weight of 366.29 g/mol, XLogP of 1.82, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-(4-methylpiperidin-1-yl)propyl]-1-prop-2-enylguanidine;hydroiodide is sourced from PubChem (CID 110916751), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).