[3-methyl-1-(2-methylpropylsulfanyl)cyclobutyl]methanamine

C10H21NS — CID 65138393

IUPAC[3-methyl-1-(2-methylpropylsulfanyl)cyclobutyl]methanamine
SMILESCC(C)CSC1(CN)CC(C)C1
InChIInChI=1S/C10H21NS/c1-8(2)6-12-10(7-11)4-9(3)5-10/h8-9H,4-7,11H2,1-3H3
InChIKeyXUTKGYFSLHKHCU-UHFFFAOYSA-N
MW187.35 g/mol
LogP2.50
Rot. Bonds4

About [3-methyl-1-(2-methylpropylsulfanyl)cyclobutyl]methanamine

[3-methyl-1-(2-methylpropylsulfanyl)cyclobutyl]methanamine (PubChem CID 65138393) has the molecular formula C10H21NS and a molecular weight of 187.35 g/mol. Its IUPAC name is [3-methyl-1-(2-methylpropylsulfanyl)cyclobutyl]methanamine.

Molecular Properties

Compound Name[3-methyl-1-(2-methylpropylsulfanyl)cyclobutyl]methanamine
PubChem CID65138393
Molecular FormulaC10H21NS
Molecular Weight187.35 g/mol
Exact Mass187.14
IUPAC Name[3-methyl-1-(2-methylpropylsulfanyl)cyclobutyl]methanamine
SMILESCC(C)CSC1(CN)CC(C)C1
InChIInChI=1S/C10H21NS/c1-8(2)6-12-10(7-11)4-9(3)5-10/h8-9H,4-7,11H2,1-3H3
InChIKeyXUTKGYFSLHKHCU-UHFFFAOYSA-N
XLogP2.50
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500187.35
LogP ≤ 52.50
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of [3-methyl-1-(2-methylpropylsulfanyl)cyclobutyl]methanamine?
The IUPAC name of [3-methyl-1-(2-methylpropylsulfanyl)cyclobutyl]methanamine (CID 65138393) is [3-methyl-1-(2-methylpropylsulfanyl)cyclobutyl]methanamine.
What is the SMILES notation for [3-methyl-1-(2-methylpropylsulfanyl)cyclobutyl]methanamine?
The canonical SMILES for [3-methyl-1-(2-methylpropylsulfanyl)cyclobutyl]methanamine is CC(C)CSC1(CN)CC(C)C1.
What is the InChIKey of [3-methyl-1-(2-methylpropylsulfanyl)cyclobutyl]methanamine?
The InChIKey is XUTKGYFSLHKHCU-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H21NS/c1-8(2)6-12-10(7-11)4-9(3)5-10/h8-9H,4-7,11H2,1-3H3.
What are the key properties of [3-methyl-1-(2-methylpropylsulfanyl)cyclobutyl]methanamine?
[3-methyl-1-(2-methylpropylsulfanyl)cyclobutyl]methanamine has a molecular weight of 187.35 g/mol, XLogP of 2.50, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [3-methyl-1-(2-methylpropylsulfanyl)cyclobutyl]methanamine is sourced from PubChem (CID 65138393), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).