1-cyclopropyl-2-(4-methylsulfanylbutyl)guanidine

C9H19N3S — CID 111435809

IUPAC1-cyclopropyl-2-(4-methylsulfanylbutyl)guanidine
SMILESCSCCCC/N=C(\N)NC1CC1
InChIInChI=1S/C9H19N3S/c1-13-7-3-2-6-11-9(10)12-8-4-5-8/h8H,2-7H2,1H3,(H3,10,11,12)
InChIKeyPJFOGGUOLXQOOU-UHFFFAOYSA-N
MW201.34 g/mol
LogP1.20
Rot. Bonds6

About 1-cyclopropyl-2-(4-methylsulfanylbutyl)guanidine

1-cyclopropyl-2-(4-methylsulfanylbutyl)guanidine (PubChem CID 111435809) has the molecular formula C9H19N3S and a molecular weight of 201.34 g/mol. Its IUPAC name is 1-cyclopropyl-2-(4-methylsulfanylbutyl)guanidine.

Molecular Properties

Compound Name1-cyclopropyl-2-(4-methylsulfanylbutyl)guanidine
PubChem CID111435809
Molecular FormulaC9H19N3S
Molecular Weight201.34 g/mol
Exact Mass201.13
IUPAC Name1-cyclopropyl-2-(4-methylsulfanylbutyl)guanidine
SMILESCSCCCC/N=C(\N)NC1CC1
InChIInChI=1S/C9H19N3S/c1-13-7-3-2-6-11-9(10)12-8-4-5-8/h8H,2-7H2,1H3,(H3,10,11,12)
InChIKeyPJFOGGUOLXQOOU-UHFFFAOYSA-N
XLogP1.20
TPSA50.41 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500201.34
LogP ≤ 51.20
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

1-cyclopropyl-2-(4-methylsulfanylbutyl)guanidine;hydroiodide
CID 111435808
2-[6-[[amino-(cyclopropylamino)methylidene]amino]hexyl]-1-cyclopropylguanidine
CID 110062172
4-[[amino-(cyclopropylamino)methylidene]amino]butanamide
CID 62363959
methyl 5-[[amino-(cyclopropylamino)methylidene]amino]pentanoate
CID 110930156
1-cyclohexyl-2-octylguanidine
CID 113337391
1-cyclopropyl-2-(3-methylbutyl)guanidine
CID 62362173
2-(6-methylsulfanylhexyl)guanidine
CID 59806974
1-cyclohexyl-2-(5-methylhexyl)guanidine
CID 79479082
1-cyclohexyl-2-[7-(dimethylamino)heptyl]guanidine
CID 111084877
1-amino-3-cyclohexyl-2-(3-methylsulfanylpropyl)guanidine
CID 104886471
1-butan-2-yl-2-(6-methylsulfanylhexyl)guanidine
CID 110029262
1-cyclopentyl-2-(3-ethoxypropyl)guanidine
CID 62364488

Frequently Asked Questions

What is the IUPAC name of 1-cyclopropyl-2-(4-methylsulfanylbutyl)guanidine?
The IUPAC name of 1-cyclopropyl-2-(4-methylsulfanylbutyl)guanidine (CID 111435809) is 1-cyclopropyl-2-(4-methylsulfanylbutyl)guanidine.
What is the SMILES notation for 1-cyclopropyl-2-(4-methylsulfanylbutyl)guanidine?
The canonical SMILES for 1-cyclopropyl-2-(4-methylsulfanylbutyl)guanidine is CSCCCC/N=C(\N)NC1CC1.
What is the InChIKey of 1-cyclopropyl-2-(4-methylsulfanylbutyl)guanidine?
The InChIKey is PJFOGGUOLXQOOU-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H19N3S/c1-13-7-3-2-6-11-9(10)12-8-4-5-8/h8H,2-7H2,1H3,(H3,10,11,12).
What are the key properties of 1-cyclopropyl-2-(4-methylsulfanylbutyl)guanidine?
1-cyclopropyl-2-(4-methylsulfanylbutyl)guanidine has a molecular weight of 201.34 g/mol, XLogP of 1.20, 6 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-cyclopropyl-2-(4-methylsulfanylbutyl)guanidine is sourced from PubChem (CID 111435809), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).