2-[2-methyl-3-(4-methylpiperazin-1-yl)propyl]-1-propylguanidine;hydroiodide

C13H30IN5 — CID 111070313

IUPAC2-[2-methyl-3-(4-methylpiperazin-1-yl)propyl]-1-propylguanidine;hydroiodide
SMILESCCCN/C(N)=N/CC(C)CN1CCN(C)CC1.I
InChIInChI=1S/C13H29N5.HI/c1-4-5-15-13(14)16-10-12(2)11-18-8-6-17(3)7-9-18;/h12H,4-11H2,1-3H3,(H3,14,15,16);1H
InChIKeyBAKBKFXWWVBVNT-UHFFFAOYSA-N
MW383.32 g/mol
LogP0.80
Rot. Bonds6

About 2-[2-methyl-3-(4-methylpiperazin-1-yl)propyl]-1-propylguanidine;hydroiodide

2-[2-methyl-3-(4-methylpiperazin-1-yl)propyl]-1-propylguanidine;hydroiodide (PubChem CID 111070313) has the molecular formula C13H30IN5 and a molecular weight of 383.32 g/mol. Its IUPAC name is 2-[2-methyl-3-(4-methylpiperazin-1-yl)propyl]-1-propylguanidine;hydroiodide.

Molecular Properties

Compound Name2-[2-methyl-3-(4-methylpiperazin-1-yl)propyl]-1-propylguanidine;hydroiodide
PubChem CID111070313
Molecular FormulaC13H30IN5
Molecular Weight383.32 g/mol
Exact Mass383.15
IUPAC Name2-[2-methyl-3-(4-methylpiperazin-1-yl)propyl]-1-propylguanidine;hydroiodide
SMILESCCCN/C(N)=N/CC(C)CN1CCN(C)CC1.I
InChIInChI=1S/C13H29N5.HI/c1-4-5-15-13(14)16-10-12(2)11-18-8-6-17(3)7-9-18;/h12H,4-11H2,1-3H3,(H3,14,15,16);1H
InChIKeyBAKBKFXWWVBVNT-UHFFFAOYSA-N
XLogP0.80
TPSA56.89 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500383.32
LogP ≤ 50.80
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'}

Analyze 2-[2-methyl-3-(4-methylpiperazin-1-yl)propyl]-1-propylguanidine;hydroiodide with MolForge

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

Launch Full Analysis

Related Compounds

1-(3-ethoxypropyl)-2-[2-methyl-3-(4-methylpiperazin-1-yl)propyl]guanidine;hydroiodide
CID 111070337
2-[3-(4-ethylpiperazin-1-yl)-2-methylpropyl]-1-octylguanidine;hydroiodide
CID 111070427
1-tert-butyl-2-[2-methyl-3-(4-methylpiperazin-1-yl)propyl]guanidine;hydroiodide
CID 111070321
2-[3-(4-ethylpiperazin-1-yl)-2-methylpropyl]-1-(2-methoxyethyl)guanidine;hydroiodide
CID 110927369
1-tert-butyl-2-[2-methyl-3-(4-methylpiperazin-1-yl)propyl]guanidine
CID 111070322
1-[2-methyl-3-(4-methylpiperazin-1-yl)propyl]-2-(2-methylpropyl)guanidine
CID 111070318
1-[2-(3,4-dimethoxyphenyl)ethyl]-2-[2-methyl-3-(4-methylpiperazin-1-yl)propyl]guanidine;hydroiodide
CID 111070331
2-(2-methyl-3-morpholin-4-ylpropyl)-1-octylguanidine;hydroiodide
CID 111802229
1-ethyl-2-(2-methyl-3-pyrrolidin-1-ylpropyl)guanidine
CID 62991694
1-(3-methylbutyl)-2-(2-methyl-3-pyrrolidin-1-ylpropyl)guanidine
CID 111070218
1-ethyl-2-[2-methyl-3-(4-methylpiperazin-1-yl)propyl]-3-propan-2-ylguanidine;hydroiodide
CID 111124980
1-ethyl-2-[2-methyl-3-(4-methylpiperazin-1-yl)propyl]-3-(3,3,3-trifluoropropyl)guanidine;hydroiodide
CID 109474056

Frequently Asked Questions

What is the IUPAC name of 2-[2-methyl-3-(4-methylpiperazin-1-yl)propyl]-1-propylguanidine;hydroiodide?
The IUPAC name of 2-[2-methyl-3-(4-methylpiperazin-1-yl)propyl]-1-propylguanidine;hydroiodide (CID 111070313) is 2-[2-methyl-3-(4-methylpiperazin-1-yl)propyl]-1-propylguanidine;hydroiodide.
What is the SMILES notation for 2-[2-methyl-3-(4-methylpiperazin-1-yl)propyl]-1-propylguanidine;hydroiodide?
The canonical SMILES for 2-[2-methyl-3-(4-methylpiperazin-1-yl)propyl]-1-propylguanidine;hydroiodide is CCCN/C(N)=N/CC(C)CN1CCN(C)CC1.I.
What is the InChIKey of 2-[2-methyl-3-(4-methylpiperazin-1-yl)propyl]-1-propylguanidine;hydroiodide?
The InChIKey is BAKBKFXWWVBVNT-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H29N5.HI/c1-4-5-15-13(14)16-10-12(2)11-18-8-6-17(3)7-9-18;/h12H,4-11H2,1-3H3,(H3,14,15,16);1H.
What are the key properties of 2-[2-methyl-3-(4-methylpiperazin-1-yl)propyl]-1-propylguanidine;hydroiodide?
2-[2-methyl-3-(4-methylpiperazin-1-yl)propyl]-1-propylguanidine;hydroiodide has a molecular weight of 383.32 g/mol, XLogP of 0.80, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-methyl-3-(4-methylpiperazin-1-yl)propyl]-1-propylguanidine;hydroiodide is sourced from PubChem (CID 111070313), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).