2-methyl-1-(2-methylpropyl)-3-(3-methylsulfanylpropyl)guanidine

C10H23N3S — CID 111768551

IUPAC2-methyl-1-(2-methylpropyl)-3-(3-methylsulfanylpropyl)guanidine
SMILESC/N=C(\NCCCSC)NCC(C)C
InChIInChI=1S/C10H23N3S/c1-9(2)8-13-10(11-3)12-6-5-7-14-4/h9H,5-8H2,1-4H3,(H2,11,12,13)
InChIKeyJTDGGHOFDKHOQT-UHFFFAOYSA-N
MW217.38 g/mol
LogP1.56
Rot. Bonds6

About 2-methyl-1-(2-methylpropyl)-3-(3-methylsulfanylpropyl)guanidine

2-methyl-1-(2-methylpropyl)-3-(3-methylsulfanylpropyl)guanidine (PubChem CID 111768551) has the molecular formula C10H23N3S and a molecular weight of 217.38 g/mol. Its IUPAC name is 2-methyl-1-(2-methylpropyl)-3-(3-methylsulfanylpropyl)guanidine.

Molecular Properties

Compound Name2-methyl-1-(2-methylpropyl)-3-(3-methylsulfanylpropyl)guanidine
PubChem CID111768551
Molecular FormulaC10H23N3S
Molecular Weight217.38 g/mol
Exact Mass217.16
IUPAC Name2-methyl-1-(2-methylpropyl)-3-(3-methylsulfanylpropyl)guanidine
SMILESC/N=C(\NCCCSC)NCC(C)C
InChIInChI=1S/C10H23N3S/c1-9(2)8-13-10(11-3)12-6-5-7-14-4/h9H,5-8H2,1-4H3,(H2,11,12,13)
InChIKeyJTDGGHOFDKHOQT-UHFFFAOYSA-N
XLogP1.56
TPSA36.42 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500217.38
LogP ≤ 51.56
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'}

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Related Compounds

2-methyl-1-(2-methylpropyl)-3-(2-methylsulfanylethyl)guanidine;hydroiodide
CID 111179193
2-methyl-1-(3-methylbutyl)-3-(4-methylsulfanylbutyl)guanidine
CID 111626506
1-butyl-2-methyl-3-(3-methylsulfanylpropyl)guanidine
CID 111767355
1,2-dimethyl-3-(3-methylsulfanylpropyl)guanidine
CID 102135691
2-methyl-1-(4-methylpentyl)-3-(2-methylsulfanylethyl)guanidine;hydroiodide
CID 111345700
2-methyl-1-(3-methylsulfanylpropyl)-3-(2-phenylpropyl)guanidine;hydroiodide
CID 111785314
1-amino-2-methyl-3-(3-methylsulfanylpropyl)guanidine
CID 104882256
1-(3-methoxypropyl)-2-methyl-3-(2-methylpropyl)guanidine
CID 110975003
2-methyl-1-(2-methyl-3-pyrrolidin-1-ylpropyl)-3-(4-methylsulfanylbutyl)guanidine
CID 111628632
1-(3-ethoxypropyl)-2-methyl-3-(3-methylsulfanylpropyl)guanidine
CID 111769721
2-methyl-1-(2-methylpropyl)-3-(3-methylsulfonylpropyl)guanidine
CID 111178214
2-methyl-1-(6-methylheptan-2-yl)-3-(4-methylsulfanylbutyl)guanidine
CID 111792896

Frequently Asked Questions

What is the IUPAC name of 2-methyl-1-(2-methylpropyl)-3-(3-methylsulfanylpropyl)guanidine?
The IUPAC name of 2-methyl-1-(2-methylpropyl)-3-(3-methylsulfanylpropyl)guanidine (CID 111768551) is 2-methyl-1-(2-methylpropyl)-3-(3-methylsulfanylpropyl)guanidine.
What is the SMILES notation for 2-methyl-1-(2-methylpropyl)-3-(3-methylsulfanylpropyl)guanidine?
The canonical SMILES for 2-methyl-1-(2-methylpropyl)-3-(3-methylsulfanylpropyl)guanidine is C/N=C(\NCCCSC)NCC(C)C.
What is the InChIKey of 2-methyl-1-(2-methylpropyl)-3-(3-methylsulfanylpropyl)guanidine?
The InChIKey is JTDGGHOFDKHOQT-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H23N3S/c1-9(2)8-13-10(11-3)12-6-5-7-14-4/h9H,5-8H2,1-4H3,(H2,11,12,13).
What are the key properties of 2-methyl-1-(2-methylpropyl)-3-(3-methylsulfanylpropyl)guanidine?
2-methyl-1-(2-methylpropyl)-3-(3-methylsulfanylpropyl)guanidine has a molecular weight of 217.38 g/mol, XLogP of 1.56, 6 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-1-(2-methylpropyl)-3-(3-methylsulfanylpropyl)guanidine is sourced from PubChem (CID 111768551), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).