1-ethyl-N-[1-(2-methylpropylsulfanyl)propan-2-yl]cyclobutan-1-amine

C13H27NS — CID 115920843

IUPAC1-ethyl-N-[1-(2-methylpropylsulfanyl)propan-2-yl]cyclobutan-1-amine
SMILESCCC1(NC(C)CSCC(C)C)CCC1
InChIInChI=1S/C13H27NS/c1-5-13(7-6-8-13)14-12(4)10-15-9-11(2)3/h11-12,14H,5-10H2,1-4H3
InChIKeyITUBLEZKNIXROI-UHFFFAOYSA-N
MW229.43 g/mol
LogP3.69
Rot. Bonds7

About 1-ethyl-N-[1-(2-methylpropylsulfanyl)propan-2-yl]cyclobutan-1-amine

1-ethyl-N-[1-(2-methylpropylsulfanyl)propan-2-yl]cyclobutan-1-amine (PubChem CID 115920843) has the molecular formula C13H27NS and a molecular weight of 229.43 g/mol. Its IUPAC name is 1-ethyl-N-[1-(2-methylpropylsulfanyl)propan-2-yl]cyclobutan-1-amine.

Molecular Properties

Compound Name1-ethyl-N-[1-(2-methylpropylsulfanyl)propan-2-yl]cyclobutan-1-amine
PubChem CID115920843
Molecular FormulaC13H27NS
Molecular Weight229.43 g/mol
Exact Mass229.19
IUPAC Name1-ethyl-N-[1-(2-methylpropylsulfanyl)propan-2-yl]cyclobutan-1-amine
SMILESCCC1(NC(C)CSCC(C)C)CCC1
InChIInChI=1S/C13H27NS/c1-5-13(7-6-8-13)14-12(4)10-15-9-11(2)3/h11-12,14H,5-10H2,1-4H3
InChIKeyITUBLEZKNIXROI-UHFFFAOYSA-N
XLogP3.69
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500229.43
LogP ≤ 53.69
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1-ethyl-N-[1-(2-methylpropylsulfanyl)propan-2-yl]cyclobutan-1-amine?
The IUPAC name of 1-ethyl-N-[1-(2-methylpropylsulfanyl)propan-2-yl]cyclobutan-1-amine (CID 115920843) is 1-ethyl-N-[1-(2-methylpropylsulfanyl)propan-2-yl]cyclobutan-1-amine.
What is the SMILES notation for 1-ethyl-N-[1-(2-methylpropylsulfanyl)propan-2-yl]cyclobutan-1-amine?
The canonical SMILES for 1-ethyl-N-[1-(2-methylpropylsulfanyl)propan-2-yl]cyclobutan-1-amine is CCC1(NC(C)CSCC(C)C)CCC1.
What is the InChIKey of 1-ethyl-N-[1-(2-methylpropylsulfanyl)propan-2-yl]cyclobutan-1-amine?
The InChIKey is ITUBLEZKNIXROI-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H27NS/c1-5-13(7-6-8-13)14-12(4)10-15-9-11(2)3/h11-12,14H,5-10H2,1-4H3.
What are the key properties of 1-ethyl-N-[1-(2-methylpropylsulfanyl)propan-2-yl]cyclobutan-1-amine?
1-ethyl-N-[1-(2-methylpropylsulfanyl)propan-2-yl]cyclobutan-1-amine has a molecular weight of 229.43 g/mol, XLogP of 3.69, 7 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-ethyl-N-[1-(2-methylpropylsulfanyl)propan-2-yl]cyclobutan-1-amine is sourced from PubChem (CID 115920843), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).