1-cyclopropyl-1-methyl-2-[(1-methylsulfanylcyclobutyl)methyl]guanidine

C11H21N3S — CID 120605871

IUPAC1-cyclopropyl-1-methyl-2-[(1-methylsulfanylcyclobutyl)methyl]guanidine
SMILESCSC1(C/N=C(\N)N(C)C2CC2)CCC1
InChIInChI=1S/C11H21N3S/c1-14(9-4-5-9)10(12)13-8-11(15-2)6-3-7-11/h9H,3-8H2,1-2H3,(H2,12,13)
InChIKeyKLTPULSXIMTSKO-UHFFFAOYSA-N
MW227.38 g/mol
LogP1.68
Rot. Bonds4

About 1-cyclopropyl-1-methyl-2-[(1-methylsulfanylcyclobutyl)methyl]guanidine

1-cyclopropyl-1-methyl-2-[(1-methylsulfanylcyclobutyl)methyl]guanidine (PubChem CID 120605871) has the molecular formula C11H21N3S and a molecular weight of 227.38 g/mol. Its IUPAC name is 1-cyclopropyl-1-methyl-2-[(1-methylsulfanylcyclobutyl)methyl]guanidine.

Molecular Properties

Compound Name1-cyclopropyl-1-methyl-2-[(1-methylsulfanylcyclobutyl)methyl]guanidine
PubChem CID120605871
Molecular FormulaC11H21N3S
Molecular Weight227.38 g/mol
Exact Mass227.15
IUPAC Name1-cyclopropyl-1-methyl-2-[(1-methylsulfanylcyclobutyl)methyl]guanidine
SMILESCSC1(C/N=C(\N)N(C)C2CC2)CCC1
InChIInChI=1S/C11H21N3S/c1-14(9-4-5-9)10(12)13-8-11(15-2)6-3-7-11/h9H,3-8H2,1-2H3,(H2,12,13)
InChIKeyKLTPULSXIMTSKO-UHFFFAOYSA-N
XLogP1.68
TPSA41.62 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500227.38
LogP ≤ 51.68
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'}

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Frequently Asked Questions

What is the IUPAC name of 1-cyclopropyl-1-methyl-2-[(1-methylsulfanylcyclobutyl)methyl]guanidine?
The IUPAC name of 1-cyclopropyl-1-methyl-2-[(1-methylsulfanylcyclobutyl)methyl]guanidine (CID 120605871) is 1-cyclopropyl-1-methyl-2-[(1-methylsulfanylcyclobutyl)methyl]guanidine.
What is the SMILES notation for 1-cyclopropyl-1-methyl-2-[(1-methylsulfanylcyclobutyl)methyl]guanidine?
The canonical SMILES for 1-cyclopropyl-1-methyl-2-[(1-methylsulfanylcyclobutyl)methyl]guanidine is CSC1(C/N=C(\N)N(C)C2CC2)CCC1.
What is the InChIKey of 1-cyclopropyl-1-methyl-2-[(1-methylsulfanylcyclobutyl)methyl]guanidine?
The InChIKey is KLTPULSXIMTSKO-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H21N3S/c1-14(9-4-5-9)10(12)13-8-11(15-2)6-3-7-11/h9H,3-8H2,1-2H3,(H2,12,13).
What are the key properties of 1-cyclopropyl-1-methyl-2-[(1-methylsulfanylcyclobutyl)methyl]guanidine?
1-cyclopropyl-1-methyl-2-[(1-methylsulfanylcyclobutyl)methyl]guanidine has a molecular weight of 227.38 g/mol, XLogP of 1.68, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-cyclopropyl-1-methyl-2-[(1-methylsulfanylcyclobutyl)methyl]guanidine is sourced from PubChem (CID 120605871), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).