1-(3-cyclobutylphenyl)-N-ethyl-2-propan-2-ylsulfanylethanamine

C17H27NS — CID 114603256

IUPAC1-(3-cyclobutylphenyl)-N-ethyl-2-propan-2-ylsulfanylethanamine
SMILESCCNC(CSC(C)C)c1cccc(C2CCC2)c1
InChIInChI=1S/C17H27NS/c1-4-18-17(12-19-13(2)3)16-10-6-9-15(11-16)14-7-5-8-14/h6,9-11,13-14,17-18H,4-5,7-8,12H2,1-3H3
InChIKeyHDFATWQWDQEQIC-UHFFFAOYSA-N
MW277.48 g/mol
LogP4.75
Rot. Bonds7

About 1-(3-cyclobutylphenyl)-N-ethyl-2-propan-2-ylsulfanylethanamine

1-(3-cyclobutylphenyl)-N-ethyl-2-propan-2-ylsulfanylethanamine (PubChem CID 114603256) has the molecular formula C17H27NS and a molecular weight of 277.48 g/mol. Its IUPAC name is 1-(3-cyclobutylphenyl)-N-ethyl-2-propan-2-ylsulfanylethanamine.

Molecular Properties

Compound Name1-(3-cyclobutylphenyl)-N-ethyl-2-propan-2-ylsulfanylethanamine
PubChem CID114603256
Molecular FormulaC17H27NS
Molecular Weight277.48 g/mol
Exact Mass277.19
IUPAC Name1-(3-cyclobutylphenyl)-N-ethyl-2-propan-2-ylsulfanylethanamine
SMILESCCNC(CSC(C)C)c1cccc(C2CCC2)c1
InChIInChI=1S/C17H27NS/c1-4-18-17(12-19-13(2)3)16-10-6-9-15(11-16)14-7-5-8-14/h6,9-11,13-14,17-18H,4-5,7-8,12H2,1-3H3
InChIKeyHDFATWQWDQEQIC-UHFFFAOYSA-N
XLogP4.75
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500277.48
LogP ≤ 54.75
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-(3-cyclobutylphenyl)-N-ethylethanamine
CID 114602707
1-(3-cyclobutylphenyl)-2-cyclopentyl-N-ethylethanamine
CID 105053655
1-(3-cyclobutylphenyl)-N-ethyl-3,3-dimethylbutan-1-amine
CID 114603052
1-(3-cyclobutylphenyl)-2-propan-2-ylsulfanylethanamine
CID 114603248
N-[1-(3-cyclobutylphenyl)-2-propylsulfanylethyl]propan-1-amine
CID 114603243
1-(3-cyclobutylphenyl)-N,N',N'-triethylpropane-1,3-diamine
CID 114603814
1-(3-cyclobutylphenyl)-N-ethyl-2-propylpentan-1-amine
CID 105053791
N-[(3-cyclobutylphenyl)-(2-methylcyclopentyl)methyl]ethanamine
CID 107191450
1-(3-cyclobutylphenyl)-2-(cyclohexen-1-yl)-N-ethylethanamine
CID 114604658
[1-(3-cyclobutylphenyl)-2-methylsulfanylethyl]hydrazine
CID 105213827
1-(3-cyclobutylphenyl)-2,2-diethoxy-N-ethylethanamine
CID 114603906
1-(3-cyclobutylphenyl)-3-methyl-N-propylbutan-1-amine
CID 114602675

Frequently Asked Questions

What is the IUPAC name of 1-(3-cyclobutylphenyl)-N-ethyl-2-propan-2-ylsulfanylethanamine?
The IUPAC name of 1-(3-cyclobutylphenyl)-N-ethyl-2-propan-2-ylsulfanylethanamine (CID 114603256) is 1-(3-cyclobutylphenyl)-N-ethyl-2-propan-2-ylsulfanylethanamine.
What is the SMILES notation for 1-(3-cyclobutylphenyl)-N-ethyl-2-propan-2-ylsulfanylethanamine?
The canonical SMILES for 1-(3-cyclobutylphenyl)-N-ethyl-2-propan-2-ylsulfanylethanamine is CCNC(CSC(C)C)c1cccc(C2CCC2)c1.
What is the InChIKey of 1-(3-cyclobutylphenyl)-N-ethyl-2-propan-2-ylsulfanylethanamine?
The InChIKey is HDFATWQWDQEQIC-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H27NS/c1-4-18-17(12-19-13(2)3)16-10-6-9-15(11-16)14-7-5-8-14/h6,9-11,13-14,17-18H,4-5,7-8,12H2,1-3H3.
What are the key properties of 1-(3-cyclobutylphenyl)-N-ethyl-2-propan-2-ylsulfanylethanamine?
1-(3-cyclobutylphenyl)-N-ethyl-2-propan-2-ylsulfanylethanamine has a molecular weight of 277.48 g/mol, XLogP of 4.75, 7 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-cyclobutylphenyl)-N-ethyl-2-propan-2-ylsulfanylethanamine is sourced from PubChem (CID 114603256), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).