1-(3-cyclobutylphenyl)-2-cyclohexylsulfanylethanamine

C18H27NS — CID 114603312

IUPAC1-(3-cyclobutylphenyl)-2-cyclohexylsulfanylethanamine
SMILESNC(CSC1CCCCC1)c1cccc(C2CCC2)c1
InChIInChI=1S/C18H27NS/c19-18(13-20-17-10-2-1-3-11-17)16-9-5-8-15(12-16)14-6-4-7-14/h5,8-9,12,14,17-18H,1-4,6-7,10-11,13,19H2
InChIKeyBAYGLAPJLRSYQQ-UHFFFAOYSA-N
MW289.49 g/mol
LogP5.02
Rot. Bonds5

About 1-(3-cyclobutylphenyl)-2-cyclohexylsulfanylethanamine

1-(3-cyclobutylphenyl)-2-cyclohexylsulfanylethanamine (PubChem CID 114603312) has the molecular formula C18H27NS and a molecular weight of 289.49 g/mol. Its IUPAC name is 1-(3-cyclobutylphenyl)-2-cyclohexylsulfanylethanamine.

Molecular Properties

Compound Name1-(3-cyclobutylphenyl)-2-cyclohexylsulfanylethanamine
PubChem CID114603312
Molecular FormulaC18H27NS
Molecular Weight289.49 g/mol
Exact Mass289.19
IUPAC Name1-(3-cyclobutylphenyl)-2-cyclohexylsulfanylethanamine
SMILESNC(CSC1CCCCC1)c1cccc(C2CCC2)c1
InChIInChI=1S/C18H27NS/c19-18(13-20-17-10-2-1-3-11-17)16-9-5-8-15(12-16)14-6-4-7-14/h5,8-9,12,14,17-18H,1-4,6-7,10-11,13,19H2
InChIKeyBAYGLAPJLRSYQQ-UHFFFAOYSA-N
XLogP5.02
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500289.49
LogP ≤ 55.02
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2-cyclohexylsulfanyl-1-(3-methylphenyl)ethanamine
CID 64633626
1-(3-cyclobutylphenyl)-2-propan-2-ylsulfanylethanamine
CID 114603248
2-cyclopentylsulfanyl-1-[3-(trifluoromethoxy)phenyl]ethanamine
CID 65138818
3-amino-3-(3-cyclobutylphenyl)propanoic acid
CID 83837155
4-amino-4-(3-cyclopentylphenyl)butanoic acid
CID 117371345
1-(3-cyclobutylphenyl)-2,2-dimethylpropan-1-amine
CID 114602608
2-(2-chlorophenyl)-1-(3-cyclobutylphenyl)ethanamine
CID 114602829
1-(3-cyclobutylphenyl)-2-methylsulfanylethanol
CID 114602219
[1-(4-cyclobutylphenyl)-2-cyclohexylsulfanylethyl]hydrazine
CID 105227909
[1-(3-cyclobutylphenyl)-2-methylsulfanylethyl]hydrazine
CID 105213827
2-cyclohexylsulfanyl-1-[3-fluoro-4-(trifluoromethyl)phenyl]ethanamine
CID 107288993
1-(3-cyclobutylphenyl)-2-methylbutan-1-amine
CID 114603023

Frequently Asked Questions

What is the IUPAC name of 1-(3-cyclobutylphenyl)-2-cyclohexylsulfanylethanamine?
The IUPAC name of 1-(3-cyclobutylphenyl)-2-cyclohexylsulfanylethanamine (CID 114603312) is 1-(3-cyclobutylphenyl)-2-cyclohexylsulfanylethanamine.
What is the SMILES notation for 1-(3-cyclobutylphenyl)-2-cyclohexylsulfanylethanamine?
The canonical SMILES for 1-(3-cyclobutylphenyl)-2-cyclohexylsulfanylethanamine is NC(CSC1CCCCC1)c1cccc(C2CCC2)c1.
What is the InChIKey of 1-(3-cyclobutylphenyl)-2-cyclohexylsulfanylethanamine?
The InChIKey is BAYGLAPJLRSYQQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H27NS/c19-18(13-20-17-10-2-1-3-11-17)16-9-5-8-15(12-16)14-6-4-7-14/h5,8-9,12,14,17-18H,1-4,6-7,10-11,13,19H2.
What are the key properties of 1-(3-cyclobutylphenyl)-2-cyclohexylsulfanylethanamine?
1-(3-cyclobutylphenyl)-2-cyclohexylsulfanylethanamine has a molecular weight of 289.49 g/mol, XLogP of 5.02, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-cyclobutylphenyl)-2-cyclohexylsulfanylethanamine is sourced from PubChem (CID 114603312), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).