1-cyclobutyl-N-ethyl-3-methylsulfanylpropan-2-amine

C10H21NS — CID 65456983

IUPAC1-cyclobutyl-N-ethyl-3-methylsulfanylpropan-2-amine
SMILESCCNC(CSC)CC1CCC1
InChIInChI=1S/C10H21NS/c1-3-11-10(8-12-2)7-9-5-4-6-9/h9-11H,3-8H2,1-2H3
InChIKeyLGACLXRIFQTHLM-UHFFFAOYSA-N
MW187.35 g/mol
LogP2.52
Rot. Bonds6

About 1-cyclobutyl-N-ethyl-3-methylsulfanylpropan-2-amine

1-cyclobutyl-N-ethyl-3-methylsulfanylpropan-2-amine (PubChem CID 65456983) has the molecular formula C10H21NS and a molecular weight of 187.35 g/mol. Its IUPAC name is 1-cyclobutyl-N-ethyl-3-methylsulfanylpropan-2-amine.

Molecular Properties

Compound Name1-cyclobutyl-N-ethyl-3-methylsulfanylpropan-2-amine
PubChem CID65456983
Molecular FormulaC10H21NS
Molecular Weight187.35 g/mol
Exact Mass187.14
IUPAC Name1-cyclobutyl-N-ethyl-3-methylsulfanylpropan-2-amine
SMILESCCNC(CSC)CC1CCC1
InChIInChI=1S/C10H21NS/c1-3-11-10(8-12-2)7-9-5-4-6-9/h9-11H,3-8H2,1-2H3
InChIKeyLGACLXRIFQTHLM-UHFFFAOYSA-N
XLogP2.52
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 ≤ 52.52
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1-cyclobutyl-N-ethyl-3-methylsulfanylpropan-2-amine?
The IUPAC name of 1-cyclobutyl-N-ethyl-3-methylsulfanylpropan-2-amine (CID 65456983) is 1-cyclobutyl-N-ethyl-3-methylsulfanylpropan-2-amine.
What is the SMILES notation for 1-cyclobutyl-N-ethyl-3-methylsulfanylpropan-2-amine?
The canonical SMILES for 1-cyclobutyl-N-ethyl-3-methylsulfanylpropan-2-amine is CCNC(CSC)CC1CCC1.
What is the InChIKey of 1-cyclobutyl-N-ethyl-3-methylsulfanylpropan-2-amine?
The InChIKey is LGACLXRIFQTHLM-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H21NS/c1-3-11-10(8-12-2)7-9-5-4-6-9/h9-11H,3-8H2,1-2H3.
What are the key properties of 1-cyclobutyl-N-ethyl-3-methylsulfanylpropan-2-amine?
1-cyclobutyl-N-ethyl-3-methylsulfanylpropan-2-amine has a molecular weight of 187.35 g/mol, XLogP of 2.52, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-cyclobutyl-N-ethyl-3-methylsulfanylpropan-2-amine is sourced from PubChem (CID 65456983), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).