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

C13H29N5 — CID 111228097

IUPAC2-methyl-1-[2-(4-methylpiperazin-1-yl)propyl]-3-propylguanidine
SMILESCCCN/C(=N\C)NCC(C)N1CCN(C)CC1
InChIInChI=1S/C13H29N5/c1-5-6-15-13(14-3)16-11-12(2)18-9-7-17(4)8-10-18/h12H,5-11H2,1-4H3,(H2,14,15,16)
InChIKeyPFVYFDISQDHTTH-UHFFFAOYSA-N
MW255.41 g/mol
LogP0.20
Rot. Bonds5

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

2-methyl-1-[2-(4-methylpiperazin-1-yl)propyl]-3-propylguanidine (PubChem CID 111228097) has the molecular formula C13H29N5 and a molecular weight of 255.41 g/mol. Its IUPAC name is 2-methyl-1-[2-(4-methylpiperazin-1-yl)propyl]-3-propylguanidine.

Molecular Properties

Compound Name2-methyl-1-[2-(4-methylpiperazin-1-yl)propyl]-3-propylguanidine
PubChem CID111228097
Molecular FormulaC13H29N5
Molecular Weight255.41 g/mol
Exact Mass255.24
IUPAC Name2-methyl-1-[2-(4-methylpiperazin-1-yl)propyl]-3-propylguanidine
SMILESCCCN/C(=N\C)NCC(C)N1CCN(C)CC1
InChIInChI=1S/C13H29N5/c1-5-6-15-13(14-3)16-11-12(2)18-9-7-17(4)8-10-18/h12H,5-11H2,1-4H3,(H2,14,15,16)
InChIKeyPFVYFDISQDHTTH-UHFFFAOYSA-N
XLogP0.20
TPSA42.90 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500255.41
LogP ≤ 50.20
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'}

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Related Compounds

2-methyl-1-[2-(4-methylpiperazin-1-yl)propyl]-3-(2-methylpropyl)guanidine
CID 111179110
1-[3-(azepan-1-yl)propyl]-2-methyl-3-[2-(4-methylpiperazin-1-yl)propyl]guanidine
CID 111325364
1-(4-ethoxybutyl)-2-methyl-3-[2-(4-methylpiperazin-1-yl)propyl]guanidine;hydroiodide
CID 111944840
1-[3-(azepan-1-yl)propyl]-2-methyl-3-[2-(4-methylpiperazin-1-yl)propyl]guanidine;hydroiodide
CID 111325363
2-methyl-1-[2-(4-methylpiperazin-1-yl)propyl]-3-octan-2-ylguanidine
CID 111212869
tert-butyl N-[2-[[N'-methyl-N-[2-(4-methylpiperazin-1-yl)propyl]carbamimidoyl]amino]ethyl]carbamate;hydroiodide
CID 111883858
1-[3-(cyclopropylmethoxy)propyl]-2-methyl-3-[2-(4-methylpiperazin-1-yl)propyl]guanidine
CID 111392989
1-[(1-ethylcyclobutyl)methyl]-2-methyl-3-[2-(4-methylpiperazin-1-yl)propyl]guanidine;hydroiodide
CID 109470295
2-methyl-1-[2-(4-methylpiperazin-1-yl)propyl]-3-(3-phenylpropyl)guanidine;hydroiodide
CID 111199917
2-methyl-1-(2-methylcyclopropyl)-3-[2-(4-methylpiperazin-1-yl)propyl]guanidine
CID 111962053
1-(2-methoxy-2-methylpropyl)-2-methyl-3-[2-(4-methylpiperazin-1-yl)propyl]guanidine;hydroiodide
CID 111605406
2-methyl-1-[2-(4-methylpiperazin-1-yl)propyl]-3-(2-phenylpropyl)guanidine;hydroiodide
CID 111343334

Frequently Asked Questions

What is the IUPAC name of 2-methyl-1-[2-(4-methylpiperazin-1-yl)propyl]-3-propylguanidine?
The IUPAC name of 2-methyl-1-[2-(4-methylpiperazin-1-yl)propyl]-3-propylguanidine (CID 111228097) is 2-methyl-1-[2-(4-methylpiperazin-1-yl)propyl]-3-propylguanidine.
What is the SMILES notation for 2-methyl-1-[2-(4-methylpiperazin-1-yl)propyl]-3-propylguanidine?
The canonical SMILES for 2-methyl-1-[2-(4-methylpiperazin-1-yl)propyl]-3-propylguanidine is CCCN/C(=N\C)NCC(C)N1CCN(C)CC1.
What is the InChIKey of 2-methyl-1-[2-(4-methylpiperazin-1-yl)propyl]-3-propylguanidine?
The InChIKey is PFVYFDISQDHTTH-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H29N5/c1-5-6-15-13(14-3)16-11-12(2)18-9-7-17(4)8-10-18/h12H,5-11H2,1-4H3,(H2,14,15,16).
What are the key properties of 2-methyl-1-[2-(4-methylpiperazin-1-yl)propyl]-3-propylguanidine?
2-methyl-1-[2-(4-methylpiperazin-1-yl)propyl]-3-propylguanidine has a molecular weight of 255.41 g/mol, XLogP of 0.20, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-1-[2-(4-methylpiperazin-1-yl)propyl]-3-propylguanidine is sourced from PubChem (CID 111228097), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).