1-cyclopropyl-2-(2-ethyl-2-methylsulfanylbutyl)guanidine

C11H23N3S — CID 103696935

IUPAC1-cyclopropyl-2-(2-ethyl-2-methylsulfanylbutyl)guanidine
SMILESCCC(CC)(C/N=C(\N)NC1CC1)SC
InChIInChI=1S/C11H23N3S/c1-4-11(5-2,15-3)8-13-10(12)14-9-6-7-9/h9H,4-8H2,1-3H3,(H3,12,13,14)
InChIKeyGBYSTZLPHQJJPC-UHFFFAOYSA-N
MW229.39 g/mol
LogP1.97
Rot. Bonds6

About 1-cyclopropyl-2-(2-ethyl-2-methylsulfanylbutyl)guanidine

1-cyclopropyl-2-(2-ethyl-2-methylsulfanylbutyl)guanidine (PubChem CID 103696935) has the molecular formula C11H23N3S and a molecular weight of 229.39 g/mol. Its IUPAC name is 1-cyclopropyl-2-(2-ethyl-2-methylsulfanylbutyl)guanidine.

Molecular Properties

Compound Name1-cyclopropyl-2-(2-ethyl-2-methylsulfanylbutyl)guanidine
PubChem CID103696935
Molecular FormulaC11H23N3S
Molecular Weight229.39 g/mol
Exact Mass229.16
IUPAC Name1-cyclopropyl-2-(2-ethyl-2-methylsulfanylbutyl)guanidine
SMILESCCC(CC)(C/N=C(\N)NC1CC1)SC
InChIInChI=1S/C11H23N3S/c1-4-11(5-2,15-3)8-13-10(12)14-9-6-7-9/h9H,4-8H2,1-3H3,(H3,12,13,14)
InChIKeyGBYSTZLPHQJJPC-UHFFFAOYSA-N
XLogP1.97
TPSA50.41 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500229.39
LogP ≤ 51.97
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

1-cyclopropyl-2-[(2R)-2-hydroxypropyl]guanidine
CID 131134548
1-cyclopropyl-2-[(1-methylsulfanylcyclopropyl)methyl]guanidine
CID 107265845
1-cyclopropyl-2-(4-methylsulfanylbutyl)guanidine
CID 111435809
1-cyclopropyl-2-(2-methyl-2-phenylpropyl)guanidine;hydroiodide
CID 110912213
1-cyclohexyl-2-ethylguanidine
CID 18727697
1-cyclopropyl-2-(4-methylsulfanylbutyl)guanidine;hydroiodide
CID 111435808
2-ethyl-1-[(1S,3R)-3-methylsulfanylcyclopentyl]guanidine
CID 95903132
2-ethyl-1-[(1R,3S)-3-methylsulfanylcyclopentyl]guanidine
CID 124504714
2-[6-[[amino-(cyclopropylamino)methylidene]amino]hexyl]-1-cyclopropylguanidine
CID 110062172
2-ethyl-1-(3-methylsulfanylcyclopentyl)guanidine;hydroiodide
CID 111530252
1-cyclopropyl-2-(2-methylprop-2-enyl)guanidine
CID 115612296
1-cyclohexyl-2-(2-methoxy-2-methylpropyl)guanidine;hydroiodide
CID 111607844

Frequently Asked Questions

What is the IUPAC name of 1-cyclopropyl-2-(2-ethyl-2-methylsulfanylbutyl)guanidine?
The IUPAC name of 1-cyclopropyl-2-(2-ethyl-2-methylsulfanylbutyl)guanidine (CID 103696935) is 1-cyclopropyl-2-(2-ethyl-2-methylsulfanylbutyl)guanidine.
What is the SMILES notation for 1-cyclopropyl-2-(2-ethyl-2-methylsulfanylbutyl)guanidine?
The canonical SMILES for 1-cyclopropyl-2-(2-ethyl-2-methylsulfanylbutyl)guanidine is CCC(CC)(C/N=C(\N)NC1CC1)SC.
What is the InChIKey of 1-cyclopropyl-2-(2-ethyl-2-methylsulfanylbutyl)guanidine?
The InChIKey is GBYSTZLPHQJJPC-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H23N3S/c1-4-11(5-2,15-3)8-13-10(12)14-9-6-7-9/h9H,4-8H2,1-3H3,(H3,12,13,14).
What are the key properties of 1-cyclopropyl-2-(2-ethyl-2-methylsulfanylbutyl)guanidine?
1-cyclopropyl-2-(2-ethyl-2-methylsulfanylbutyl)guanidine has a molecular weight of 229.39 g/mol, XLogP of 1.97, 6 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-cyclopropyl-2-(2-ethyl-2-methylsulfanylbutyl)guanidine is sourced from PubChem (CID 103696935), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).