2-(cyclobutylmethyl)-1-(2-methylsulfanylethyl)guanidine

C9H19N3S — CID 111030376

IUPAC2-(cyclobutylmethyl)-1-(2-methylsulfanylethyl)guanidine
SMILESCSCCN/C(N)=N/CC1CCC1
InChIInChI=1S/C9H19N3S/c1-13-6-5-11-9(10)12-7-8-3-2-4-8/h8H,2-7H2,1H3,(H3,10,11,12)
InChIKeyPSYOSWVUOAROTN-UHFFFAOYSA-N
MW201.34 g/mol
LogP1.05
Rot. Bonds5

About 2-(cyclobutylmethyl)-1-(2-methylsulfanylethyl)guanidine

2-(cyclobutylmethyl)-1-(2-methylsulfanylethyl)guanidine (PubChem CID 111030376) has the molecular formula C9H19N3S and a molecular weight of 201.34 g/mol. Its IUPAC name is 2-(cyclobutylmethyl)-1-(2-methylsulfanylethyl)guanidine.

Molecular Properties

Compound Name2-(cyclobutylmethyl)-1-(2-methylsulfanylethyl)guanidine
PubChem CID111030376
Molecular FormulaC9H19N3S
Molecular Weight201.34 g/mol
Exact Mass201.13
IUPAC Name2-(cyclobutylmethyl)-1-(2-methylsulfanylethyl)guanidine
SMILESCSCCN/C(N)=N/CC1CCC1
InChIInChI=1S/C9H19N3S/c1-13-6-5-11-9(10)12-7-8-3-2-4-8/h8H,2-7H2,1H3,(H3,10,11,12)
InChIKeyPSYOSWVUOAROTN-UHFFFAOYSA-N
XLogP1.05
TPSA50.41 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500201.34
LogP ≤ 51.05
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

N-[2-[[N'-(cyclobutylmethyl)carbamimidoyl]amino]ethyl]acetamide;hydroiodide
CID 111027951
N-[2-[[N'-(cyclobutylmethyl)carbamimidoyl]amino]ethyl]-2,2-dimethylpropanamide
CID 111095014
2-(cyclobutylmethyl)-1-(3-cyclohexylpropyl)guanidine;hydroiodide
CID 111062821
2-(cyclobutylmethyl)-1-(2-pyrrolidin-1-ylethyl)guanidine;hydroiodide
CID 119117526
2-(cyclobutylmethyl)-1-[2-[methyl(propan-2-yl)amino]ethyl]guanidine;hydroiodide
CID 111096600
1-(2-butoxyethyl)-2-(cyclobutylmethyl)guanidine;hydroiodide
CID 111075034
2-(cyclobutylmethyl)-1-[2-(diethylsulfamoyl)ethyl]guanidine;hydroiodide
CID 111804893
2-(cyclobutylmethyl)-1-[2-(oxan-4-yl)ethyl]guanidine;hydroiodide
CID 119146618
2-(cyclopropylmethyl)-1-ethyl-3-(2-methylsulfanylethyl)guanidine;hydroiodide
CID 111344940
2-(cyclobutylmethyl)-1-(3-pyrrolidin-1-ylpropyl)guanidine;hydroiodide
CID 111034788
2-(cyclobutylmethyl)-1-(3-ethoxy-4-methylpentyl)guanidine
CID 111823123
propan-2-yl 3-[[N'-(cyclobutylmethyl)carbamimidoyl]amino]propanoate;hydroiodide
CID 111037123

Frequently Asked Questions

What is the IUPAC name of 2-(cyclobutylmethyl)-1-(2-methylsulfanylethyl)guanidine?
The IUPAC name of 2-(cyclobutylmethyl)-1-(2-methylsulfanylethyl)guanidine (CID 111030376) is 2-(cyclobutylmethyl)-1-(2-methylsulfanylethyl)guanidine.
What is the SMILES notation for 2-(cyclobutylmethyl)-1-(2-methylsulfanylethyl)guanidine?
The canonical SMILES for 2-(cyclobutylmethyl)-1-(2-methylsulfanylethyl)guanidine is CSCCN/C(N)=N/CC1CCC1.
What is the InChIKey of 2-(cyclobutylmethyl)-1-(2-methylsulfanylethyl)guanidine?
The InChIKey is PSYOSWVUOAROTN-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H19N3S/c1-13-6-5-11-9(10)12-7-8-3-2-4-8/h8H,2-7H2,1H3,(H3,10,11,12).
What are the key properties of 2-(cyclobutylmethyl)-1-(2-methylsulfanylethyl)guanidine?
2-(cyclobutylmethyl)-1-(2-methylsulfanylethyl)guanidine has a molecular weight of 201.34 g/mol, XLogP of 1.05, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(cyclobutylmethyl)-1-(2-methylsulfanylethyl)guanidine is sourced from PubChem (CID 111030376), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).