2-methyl-1-(3-methylsulfanylpropyl)-3-(2-phenylpropyl)guanidine;hydroiodide

C15H26IN3S — CID 111785314

IUPAC2-methyl-1-(3-methylsulfanylpropyl)-3-(2-phenylpropyl)guanidine;hydroiodide
SMILESC/N=C(\NCCCSC)NCC(C)c1ccccc1.I
InChIInChI=1S/C15H25N3S.HI/c1-13(14-8-5-4-6-9-14)12-18-15(16-2)17-10-7-11-19-3;/h4-6,8-9,13H,7,10-12H2,1-3H3,(H2,16,17,18);1H
InChIKeyPSZCOOUADZTCAL-UHFFFAOYSA-N
MW407.37 g/mol
LogP3.33
Rot. Bonds7

About 2-methyl-1-(3-methylsulfanylpropyl)-3-(2-phenylpropyl)guanidine;hydroiodide

2-methyl-1-(3-methylsulfanylpropyl)-3-(2-phenylpropyl)guanidine;hydroiodide (PubChem CID 111785314) has the molecular formula C15H26IN3S and a molecular weight of 407.37 g/mol. Its IUPAC name is 2-methyl-1-(3-methylsulfanylpropyl)-3-(2-phenylpropyl)guanidine;hydroiodide.

Molecular Properties

Compound Name2-methyl-1-(3-methylsulfanylpropyl)-3-(2-phenylpropyl)guanidine;hydroiodide
PubChem CID111785314
Molecular FormulaC15H26IN3S
Molecular Weight407.37 g/mol
Exact Mass407.09
IUPAC Name2-methyl-1-(3-methylsulfanylpropyl)-3-(2-phenylpropyl)guanidine;hydroiodide
SMILESC/N=C(\NCCCSC)NCC(C)c1ccccc1.I
InChIInChI=1S/C15H25N3S.HI/c1-13(14-8-5-4-6-9-14)12-18-15(16-2)17-10-7-11-19-3;/h4-6,8-9,13H,7,10-12H2,1-3H3,(H2,16,17,18);1H
InChIKeyPSZCOOUADZTCAL-UHFFFAOYSA-N
XLogP3.33
TPSA36.42 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500407.37
LogP ≤ 53.33
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'imine_2', 'substructure': 'N/A'}, {'alert_name': 'iodine', 'substructure': 'N/A'}

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Related Compounds

1-[2-(dimethylamino)-2-phenylethyl]-2-methyl-3-(4-methylsulfanylbutyl)guanidine;hydroiodide
CID 111627945
1-(2,2-diphenylethyl)-2-methyl-3-(2-methylsulfanylethyl)guanidine;hydroiodide
CID 111345766
1-(3-butoxypropyl)-2-methyl-3-(2-phenylpropyl)guanidine;hydroiodide
CID 111239504
2-methyl-1-(2-methylpropyl)-3-(3-methylsulfanylpropyl)guanidine
CID 111768551
2-methyl-1-(2-phenylpropyl)-3-[4-(1,2,4-triazol-4-yl)butyl]guanidine;hydroiodide
CID 111516440
2-methyl-1-pent-3-enyl-3-(2-phenylpropyl)guanidine;hydroiodide
CID 111587778
1-(2-ethylsulfonylethyl)-2-methyl-3-(2-phenylpropyl)guanidine;hydroiodide
CID 111343040
1-benzyl-2-methyl-3-(2-phenylpropyl)guanidine;hydroiodide
CID 110953981
2-methyl-1-[4-(4-methylpiperazin-1-yl)butyl]-3-(2-phenylpropyl)guanidine;hydroiodide
CID 111342762
N-(3-methylsulfanylpropyl)-2-phenylpropan-1-amine
CID 43182086
1-(2-methoxy-2-phenylethyl)-2-methyl-3-(2-phenylpropyl)guanidine
CID 111342891
2-methyl-1-(4-phenylmethoxybutyl)-3-(2-phenylpropyl)guanidine
CID 111342493

Frequently Asked Questions

What is the IUPAC name of 2-methyl-1-(3-methylsulfanylpropyl)-3-(2-phenylpropyl)guanidine;hydroiodide?
The IUPAC name of 2-methyl-1-(3-methylsulfanylpropyl)-3-(2-phenylpropyl)guanidine;hydroiodide (CID 111785314) is 2-methyl-1-(3-methylsulfanylpropyl)-3-(2-phenylpropyl)guanidine;hydroiodide.
What is the SMILES notation for 2-methyl-1-(3-methylsulfanylpropyl)-3-(2-phenylpropyl)guanidine;hydroiodide?
The canonical SMILES for 2-methyl-1-(3-methylsulfanylpropyl)-3-(2-phenylpropyl)guanidine;hydroiodide is C/N=C(\NCCCSC)NCC(C)c1ccccc1.I.
What is the InChIKey of 2-methyl-1-(3-methylsulfanylpropyl)-3-(2-phenylpropyl)guanidine;hydroiodide?
The InChIKey is PSZCOOUADZTCAL-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H25N3S.HI/c1-13(14-8-5-4-6-9-14)12-18-15(16-2)17-10-7-11-19-3;/h4-6,8-9,13H,7,10-12H2,1-3H3,(H2,16,17,18);1H.
What are the key properties of 2-methyl-1-(3-methylsulfanylpropyl)-3-(2-phenylpropyl)guanidine;hydroiodide?
2-methyl-1-(3-methylsulfanylpropyl)-3-(2-phenylpropyl)guanidine;hydroiodide has a molecular weight of 407.37 g/mol, XLogP of 3.33, 7 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-1-(3-methylsulfanylpropyl)-3-(2-phenylpropyl)guanidine;hydroiodide is sourced from PubChem (CID 111785314), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).