1-methyl-N-(4-methylsulfanylbutyl)cyclobutan-1-amine

C10H21NS — CID 103088428

IUPAC1-methyl-N-(4-methylsulfanylbutyl)cyclobutan-1-amine
SMILESCSCCCCNC1(C)CCC1
InChIInChI=1S/C10H21NS/c1-10(6-5-7-10)11-8-3-4-9-12-2/h11H,3-9H2,1-2H3
InChIKeyAVSHVJDRRSKWMN-UHFFFAOYSA-N
MW187.35 g/mol
LogP2.66
Rot. Bonds6

About 1-methyl-N-(4-methylsulfanylbutyl)cyclobutan-1-amine

1-methyl-N-(4-methylsulfanylbutyl)cyclobutan-1-amine (PubChem CID 103088428) has the molecular formula C10H21NS and a molecular weight of 187.35 g/mol. Its IUPAC name is 1-methyl-N-(4-methylsulfanylbutyl)cyclobutan-1-amine.

Molecular Properties

Compound Name1-methyl-N-(4-methylsulfanylbutyl)cyclobutan-1-amine
PubChem CID103088428
Molecular FormulaC10H21NS
Molecular Weight187.35 g/mol
Exact Mass187.14
IUPAC Name1-methyl-N-(4-methylsulfanylbutyl)cyclobutan-1-amine
SMILESCSCCCCNC1(C)CCC1
InChIInChI=1S/C10H21NS/c1-10(6-5-7-10)11-8-3-4-9-12-2/h11H,3-9H2,1-2H3
InChIKeyAVSHVJDRRSKWMN-UHFFFAOYSA-N
XLogP2.66
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500187.35
LogP ≤ 52.66
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 1-methyl-N-(4-methylsulfanylbutyl)cyclobutan-1-amine?
The IUPAC name of 1-methyl-N-(4-methylsulfanylbutyl)cyclobutan-1-amine (CID 103088428) is 1-methyl-N-(4-methylsulfanylbutyl)cyclobutan-1-amine.
What is the SMILES notation for 1-methyl-N-(4-methylsulfanylbutyl)cyclobutan-1-amine?
The canonical SMILES for 1-methyl-N-(4-methylsulfanylbutyl)cyclobutan-1-amine is CSCCCCNC1(C)CCC1.
What is the InChIKey of 1-methyl-N-(4-methylsulfanylbutyl)cyclobutan-1-amine?
The InChIKey is AVSHVJDRRSKWMN-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H21NS/c1-10(6-5-7-10)11-8-3-4-9-12-2/h11H,3-9H2,1-2H3.
What are the key properties of 1-methyl-N-(4-methylsulfanylbutyl)cyclobutan-1-amine?
1-methyl-N-(4-methylsulfanylbutyl)cyclobutan-1-amine has a molecular weight of 187.35 g/mol, XLogP of 2.66, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methyl-N-(4-methylsulfanylbutyl)cyclobutan-1-amine is sourced from PubChem (CID 103088428), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).