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

C15H25N3 — CID 111622010

IUPAC2-methyl-1-[2-(4-methylphenyl)propyl]-3-propylguanidine
SMILESCCCN/C(=N\C)NCC(C)c1ccc(C)cc1
InChIInChI=1S/C15H25N3/c1-5-10-17-15(16-4)18-11-13(3)14-8-6-12(2)7-9-14/h6-9,13H,5,10-11H2,1-4H3,(H2,16,17,18)
InChIKeySPZDKHCLVBETLX-UHFFFAOYSA-N
MW247.39 g/mol
LogP2.67
Rot. Bonds5

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

2-methyl-1-[2-(4-methylphenyl)propyl]-3-propylguanidine (PubChem CID 111622010) has the molecular formula C15H25N3 and a molecular weight of 247.39 g/mol. Its IUPAC name is 2-methyl-1-[2-(4-methylphenyl)propyl]-3-propylguanidine.

Molecular Properties

Compound Name2-methyl-1-[2-(4-methylphenyl)propyl]-3-propylguanidine
PubChem CID111622010
Molecular FormulaC15H25N3
Molecular Weight247.39 g/mol
Exact Mass247.20
IUPAC Name2-methyl-1-[2-(4-methylphenyl)propyl]-3-propylguanidine
SMILESCCCN/C(=N\C)NCC(C)c1ccc(C)cc1
InChIInChI=1S/C15H25N3/c1-5-10-17-15(16-4)18-11-13(3)14-8-6-12(2)7-9-14/h6-9,13H,5,10-11H2,1-4H3,(H2,16,17,18)
InChIKeySPZDKHCLVBETLX-UHFFFAOYSA-N
XLogP2.67
TPSA36.42 Ų
H-Bond Donors2
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500247.39
LogP ≤ 52.67
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 101

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

3-[[N'-methyl-N-[2-(4-methylphenyl)propyl]carbamimidoyl]amino]-N-propylpropanamide;hydroiodide
CID 111621631
2-[[N'-methyl-N-[2-(4-methylphenyl)propyl]carbamimidoyl]amino]-N-propylacetamide
CID 111622332
1-(3-methoxypropyl)-2-methyl-3-[2-(4-methylphenyl)propyl]guanidine
CID 111622456
1-[2-(dimethylamino)-2-(4-methylphenyl)ethyl]-2-methyl-3-propylguanidine
CID 111227153
1-[3-(dimethylamino)propyl]-2-methyl-3-[2-(4-methylphenyl)propyl]guanidine
CID 111622460
1-(4-ethoxybutyl)-2-methyl-3-[2-(4-methylphenyl)propyl]guanidine
CID 111622366
1-[4-(diethylamino)butyl]-2-methyl-3-[2-(4-methylphenyl)propyl]guanidine
CID 111621918
2-methyl-1-[2-(4-methylphenyl)propyl]-3-(2-morpholin-4-ylethyl)guanidine
CID 111621866
2-methyl-1-[2-(4-methylphenyl)propyl]-3-(4-pyrrolidin-1-ylbutyl)guanidine;hydroiodide
CID 111622503
N-[4-[2-[[N'-methyl-N-[2-(4-methylphenyl)propyl]carbamimidoyl]amino]ethyl]phenyl]acetamide;hydroiodide
CID 111622683
N-(2-methoxyethyl)-2-[[N'-methyl-N-[2-(4-methylphenyl)propyl]carbamimidoyl]amino]acetamide
CID 111622338
1-[2-(1,1-dioxo-1,4-thiazinan-4-yl)ethyl]-2-methyl-3-[2-(4-methylphenyl)propyl]guanidine;hydroiodide
CID 111621783

Frequently Asked Questions

What is the IUPAC name of 2-methyl-1-[2-(4-methylphenyl)propyl]-3-propylguanidine?
The IUPAC name of 2-methyl-1-[2-(4-methylphenyl)propyl]-3-propylguanidine (CID 111622010) is 2-methyl-1-[2-(4-methylphenyl)propyl]-3-propylguanidine.
What is the SMILES notation for 2-methyl-1-[2-(4-methylphenyl)propyl]-3-propylguanidine?
The canonical SMILES for 2-methyl-1-[2-(4-methylphenyl)propyl]-3-propylguanidine is CCCN/C(=N\C)NCC(C)c1ccc(C)cc1.
What is the InChIKey of 2-methyl-1-[2-(4-methylphenyl)propyl]-3-propylguanidine?
The InChIKey is SPZDKHCLVBETLX-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H25N3/c1-5-10-17-15(16-4)18-11-13(3)14-8-6-12(2)7-9-14/h6-9,13H,5,10-11H2,1-4H3,(H2,16,17,18).
What are the key properties of 2-methyl-1-[2-(4-methylphenyl)propyl]-3-propylguanidine?
2-methyl-1-[2-(4-methylphenyl)propyl]-3-propylguanidine has a molecular weight of 247.39 g/mol, XLogP of 2.67, 5 rotatable bonds, 2 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-1-[2-(4-methylphenyl)propyl]-3-propylguanidine is sourced from PubChem (CID 111622010), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).