2-[(1-methylsulfanylcyclobutyl)methyl]-1-propylguanidine

C10H21N3S — CID 107265918

IUPAC2-[(1-methylsulfanylcyclobutyl)methyl]-1-propylguanidine
SMILESCCCN/C(N)=N/CC1(SC)CCC1
InChIInChI=1S/C10H21N3S/c1-3-7-12-9(11)13-8-10(14-2)5-4-6-10/h3-8H2,1-2H3,(H3,11,12,13)
InChIKeyNGDLYKQMJAQFCD-UHFFFAOYSA-N
MW215.37 g/mol
LogP1.59
Rot. Bonds5

About 2-[(1-methylsulfanylcyclobutyl)methyl]-1-propylguanidine

2-[(1-methylsulfanylcyclobutyl)methyl]-1-propylguanidine (PubChem CID 107265918) has the molecular formula C10H21N3S and a molecular weight of 215.37 g/mol. Its IUPAC name is 2-[(1-methylsulfanylcyclobutyl)methyl]-1-propylguanidine.

Molecular Properties

Compound Name2-[(1-methylsulfanylcyclobutyl)methyl]-1-propylguanidine
PubChem CID107265918
Molecular FormulaC10H21N3S
Molecular Weight215.37 g/mol
Exact Mass215.15
IUPAC Name2-[(1-methylsulfanylcyclobutyl)methyl]-1-propylguanidine
SMILESCCCN/C(N)=N/CC1(SC)CCC1
InChIInChI=1S/C10H21N3S/c1-3-7-12-9(11)13-8-10(14-2)5-4-6-10/h3-8H2,1-2H3,(H3,11,12,13)
InChIKeyNGDLYKQMJAQFCD-UHFFFAOYSA-N
XLogP1.59
TPSA50.41 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500215.37
LogP ≤ 51.59
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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Frequently Asked Questions

What is the IUPAC name of 2-[(1-methylsulfanylcyclobutyl)methyl]-1-propylguanidine?
The IUPAC name of 2-[(1-methylsulfanylcyclobutyl)methyl]-1-propylguanidine (CID 107265918) is 2-[(1-methylsulfanylcyclobutyl)methyl]-1-propylguanidine.
What is the SMILES notation for 2-[(1-methylsulfanylcyclobutyl)methyl]-1-propylguanidine?
The canonical SMILES for 2-[(1-methylsulfanylcyclobutyl)methyl]-1-propylguanidine is CCCN/C(N)=N/CC1(SC)CCC1.
What is the InChIKey of 2-[(1-methylsulfanylcyclobutyl)methyl]-1-propylguanidine?
The InChIKey is NGDLYKQMJAQFCD-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H21N3S/c1-3-7-12-9(11)13-8-10(14-2)5-4-6-10/h3-8H2,1-2H3,(H3,11,12,13).
What are the key properties of 2-[(1-methylsulfanylcyclobutyl)methyl]-1-propylguanidine?
2-[(1-methylsulfanylcyclobutyl)methyl]-1-propylguanidine has a molecular weight of 215.37 g/mol, XLogP of 1.59, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(1-methylsulfanylcyclobutyl)methyl]-1-propylguanidine is sourced from PubChem (CID 107265918), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).