1-methyl-2-(2-methylpropyl)-1-(2-methylsulfanylethyl)guanidine

C9H21N3S — CID 112660651

IUPAC1-methyl-2-(2-methylpropyl)-1-(2-methylsulfanylethyl)guanidine
SMILESCSCCN(C)/C(N)=N/CC(C)C
InChIInChI=1S/C9H21N3S/c1-8(2)7-11-9(10)12(3)5-6-13-4/h8H,5-7H2,1-4H3,(H2,10,11)
InChIKeySAFXHWPPFXUWLZ-UHFFFAOYSA-N
MW203.35 g/mol
LogP1.25
Rot. Bonds5

About 1-methyl-2-(2-methylpropyl)-1-(2-methylsulfanylethyl)guanidine

1-methyl-2-(2-methylpropyl)-1-(2-methylsulfanylethyl)guanidine (PubChem CID 112660651) has the molecular formula C9H21N3S and a molecular weight of 203.35 g/mol. Its IUPAC name is 1-methyl-2-(2-methylpropyl)-1-(2-methylsulfanylethyl)guanidine.

Molecular Properties

Compound Name1-methyl-2-(2-methylpropyl)-1-(2-methylsulfanylethyl)guanidine
PubChem CID112660651
Molecular FormulaC9H21N3S
Molecular Weight203.35 g/mol
Exact Mass203.15
IUPAC Name1-methyl-2-(2-methylpropyl)-1-(2-methylsulfanylethyl)guanidine
SMILESCSCCN(C)/C(N)=N/CC(C)C
InChIInChI=1S/C9H21N3S/c1-8(2)7-11-9(10)12(3)5-6-13-4/h8H,5-7H2,1-4H3,(H2,10,11)
InChIKeySAFXHWPPFXUWLZ-UHFFFAOYSA-N
XLogP1.25
TPSA41.62 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500203.35
LogP ≤ 51.25
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze 1-methyl-2-(2-methylpropyl)-1-(2-methylsulfanylethyl)guanidine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 1-methyl-2-(2-methylpropyl)-1-(2-methylsulfanylethyl)guanidine?
The IUPAC name of 1-methyl-2-(2-methylpropyl)-1-(2-methylsulfanylethyl)guanidine (CID 112660651) is 1-methyl-2-(2-methylpropyl)-1-(2-methylsulfanylethyl)guanidine.
What is the SMILES notation for 1-methyl-2-(2-methylpropyl)-1-(2-methylsulfanylethyl)guanidine?
The canonical SMILES for 1-methyl-2-(2-methylpropyl)-1-(2-methylsulfanylethyl)guanidine is CSCCN(C)/C(N)=N/CC(C)C.
What is the InChIKey of 1-methyl-2-(2-methylpropyl)-1-(2-methylsulfanylethyl)guanidine?
The InChIKey is SAFXHWPPFXUWLZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H21N3S/c1-8(2)7-11-9(10)12(3)5-6-13-4/h8H,5-7H2,1-4H3,(H2,10,11).
What are the key properties of 1-methyl-2-(2-methylpropyl)-1-(2-methylsulfanylethyl)guanidine?
1-methyl-2-(2-methylpropyl)-1-(2-methylsulfanylethyl)guanidine has a molecular weight of 203.35 g/mol, XLogP of 1.25, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methyl-2-(2-methylpropyl)-1-(2-methylsulfanylethyl)guanidine is sourced from PubChem (CID 112660651), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).