[3,3-dimethyl-1-(2-methylpropylsulfanyl)cyclobutyl]methanamine

C11H23NS — CID 65138448

IUPAC[3,3-dimethyl-1-(2-methylpropylsulfanyl)cyclobutyl]methanamine
SMILESCC(C)CSC1(CN)CC(C)(C)C1
InChIInChI=1S/C11H23NS/c1-9(2)5-13-11(8-12)6-10(3,4)7-11/h9H,5-8,12H2,1-4H3
InChIKeySZGRAUSIWTZNJJ-UHFFFAOYSA-N
MW201.38 g/mol
LogP2.89
Rot. Bonds4

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

[3,3-dimethyl-1-(2-methylpropylsulfanyl)cyclobutyl]methanamine (PubChem CID 65138448) has the molecular formula C11H23NS and a molecular weight of 201.38 g/mol. Its IUPAC name is [3,3-dimethyl-1-(2-methylpropylsulfanyl)cyclobutyl]methanamine.

Molecular Properties

Compound Name[3,3-dimethyl-1-(2-methylpropylsulfanyl)cyclobutyl]methanamine
PubChem CID65138448
Molecular FormulaC11H23NS
Molecular Weight201.38 g/mol
Exact Mass201.16
IUPAC Name[3,3-dimethyl-1-(2-methylpropylsulfanyl)cyclobutyl]methanamine
SMILESCC(C)CSC1(CN)CC(C)(C)C1
InChIInChI=1S/C11H23NS/c1-9(2)5-13-11(8-12)6-10(3,4)7-11/h9H,5-8,12H2,1-4H3
InChIKeySZGRAUSIWTZNJJ-UHFFFAOYSA-N
XLogP2.89
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500201.38
LogP ≤ 52.89
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of [3,3-dimethyl-1-(2-methylpropylsulfanyl)cyclobutyl]methanamine?
The IUPAC name of [3,3-dimethyl-1-(2-methylpropylsulfanyl)cyclobutyl]methanamine (CID 65138448) is [3,3-dimethyl-1-(2-methylpropylsulfanyl)cyclobutyl]methanamine.
What is the SMILES notation for [3,3-dimethyl-1-(2-methylpropylsulfanyl)cyclobutyl]methanamine?
The canonical SMILES for [3,3-dimethyl-1-(2-methylpropylsulfanyl)cyclobutyl]methanamine is CC(C)CSC1(CN)CC(C)(C)C1.
What is the InChIKey of [3,3-dimethyl-1-(2-methylpropylsulfanyl)cyclobutyl]methanamine?
The InChIKey is SZGRAUSIWTZNJJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H23NS/c1-9(2)5-13-11(8-12)6-10(3,4)7-11/h9H,5-8,12H2,1-4H3.
What are the key properties of [3,3-dimethyl-1-(2-methylpropylsulfanyl)cyclobutyl]methanamine?
[3,3-dimethyl-1-(2-methylpropylsulfanyl)cyclobutyl]methanamine has a molecular weight of 201.38 g/mol, XLogP of 2.89, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [3,3-dimethyl-1-(2-methylpropylsulfanyl)cyclobutyl]methanamine is sourced from PubChem (CID 65138448), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).