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

C6H16N4S — CID 104882256

IUPAC1-amino-2-methyl-3-(3-methylsulfanylpropyl)guanidine
SMILESC/N=C(\NN)NCCCSC
InChIInChI=1S/C6H16N4S/c1-8-6(10-7)9-4-3-5-11-2/h3-5,7H2,1-2H3,(H2,8,9,10)
InChIKeyUAOATZCKTFRKOY-UHFFFAOYSA-N
MW176.29 g/mol
LogP-0.22
Rot. Bonds4

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

1-amino-2-methyl-3-(3-methylsulfanylpropyl)guanidine (PubChem CID 104882256) has the molecular formula C6H16N4S and a molecular weight of 176.29 g/mol. Its IUPAC name is 1-amino-2-methyl-3-(3-methylsulfanylpropyl)guanidine.

Molecular Properties

Compound Name1-amino-2-methyl-3-(3-methylsulfanylpropyl)guanidine
PubChem CID104882256
Molecular FormulaC6H16N4S
Molecular Weight176.29 g/mol
Exact Mass176.11
IUPAC Name1-amino-2-methyl-3-(3-methylsulfanylpropyl)guanidine
SMILESC/N=C(\NN)NCCCSC
InChIInChI=1S/C6H16N4S/c1-8-6(10-7)9-4-3-5-11-2/h3-5,7H2,1-2H3,(H2,8,9,10)
InChIKeyUAOATZCKTFRKOY-UHFFFAOYSA-N
XLogP-0.22
TPSA62.44 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500176.29
LogP ≤ 5-0.22
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'hydrazine', 'substructure': 'N/A'}, {'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'imine_2', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

Analyze 1-amino-2-methyl-3-(3-methylsulfanylpropyl)guanidine 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

1,2-dimethyl-3-(3-methylsulfanylpropyl)guanidine
CID 102135691
1-butyl-2-methyl-3-(3-methylsulfanylpropyl)guanidine
CID 111767355
2-methyl-1-(2-methylpropyl)-3-(3-methylsulfanylpropyl)guanidine
CID 111768551
1-(3-ethoxypropyl)-2-methyl-3-(3-methylsulfanylpropyl)guanidine
CID 111769721
1-amino-3-butyl-2-(4-methylsulfanylbutyl)guanidine
CID 104888513
1-amino-2-methyl-3-(5-methylhexyl)guanidine
CID 104882389
2-methyl-1-(2-methylsulfanylethyl)-3-pentylguanidine
CID 111129165
2-methyl-1-(3-methylbutyl)-3-(4-methylsulfanylbutyl)guanidine
CID 111626506
1-[3-(2-methoxyethoxy)propyl]-2-methyl-3-(3-methylsulfanylpropyl)guanidine;hydroiodide
CID 111787228
1-[3-(azepan-1-yl)propyl]-2-methyl-3-(3-methylsulfanylpropyl)guanidine
CID 111784975
1-[7-(dimethylamino)heptyl]-2-methyl-3-(4-methylsulfanylbutyl)guanidine
CID 111628338
1-(2-methoxyethyl)-2-methyl-3-(4-methylsulfanylbutyl)guanidine;hydroiodide
CID 111626781

Frequently Asked Questions

What is the IUPAC name of 1-amino-2-methyl-3-(3-methylsulfanylpropyl)guanidine?
The IUPAC name of 1-amino-2-methyl-3-(3-methylsulfanylpropyl)guanidine (CID 104882256) is 1-amino-2-methyl-3-(3-methylsulfanylpropyl)guanidine.
What is the SMILES notation for 1-amino-2-methyl-3-(3-methylsulfanylpropyl)guanidine?
The canonical SMILES for 1-amino-2-methyl-3-(3-methylsulfanylpropyl)guanidine is C/N=C(\NN)NCCCSC.
What is the InChIKey of 1-amino-2-methyl-3-(3-methylsulfanylpropyl)guanidine?
The InChIKey is UAOATZCKTFRKOY-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H16N4S/c1-8-6(10-7)9-4-3-5-11-2/h3-5,7H2,1-2H3,(H2,8,9,10).
What are the key properties of 1-amino-2-methyl-3-(3-methylsulfanylpropyl)guanidine?
1-amino-2-methyl-3-(3-methylsulfanylpropyl)guanidine has a molecular weight of 176.29 g/mol, XLogP of -0.22, 4 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-amino-2-methyl-3-(3-methylsulfanylpropyl)guanidine is sourced from PubChem (CID 104882256), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).