1-cyclohexyl-2-methylsulfanylethanamine

C9H19NS — CID 62691518

IUPAC1-cyclohexyl-2-methylsulfanylethanamine
SMILESCSCC(N)C1CCCCC1
InChIInChI=1S/C9H19NS/c1-11-7-9(10)8-5-3-2-4-6-8/h8-9H,2-7,10H2,1H3
InChIKeyMXDYQIBOZIKWHU-UHFFFAOYSA-N
MW173.32 g/mol
LogP2.26
Rot. Bonds3

About 1-cyclohexyl-2-methylsulfanylethanamine

1-cyclohexyl-2-methylsulfanylethanamine (PubChem CID 62691518) has the molecular formula C9H19NS and a molecular weight of 173.32 g/mol. Its IUPAC name is 1-cyclohexyl-2-methylsulfanylethanamine.

Molecular Properties

Compound Name1-cyclohexyl-2-methylsulfanylethanamine
PubChem CID62691518
Molecular FormulaC9H19NS
Molecular Weight173.32 g/mol
Exact Mass173.12
IUPAC Name1-cyclohexyl-2-methylsulfanylethanamine
SMILESCSCC(N)C1CCCCC1
InChIInChI=1S/C9H19NS/c1-11-7-9(10)8-5-3-2-4-6-8/h8-9H,2-7,10H2,1H3
InChIKeyMXDYQIBOZIKWHU-UHFFFAOYSA-N
XLogP2.26
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500173.32
LogP ≤ 52.26
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1-cyclohexyl-2-methylsulfanylethanamine?
The IUPAC name of 1-cyclohexyl-2-methylsulfanylethanamine (CID 62691518) is 1-cyclohexyl-2-methylsulfanylethanamine.
What is the SMILES notation for 1-cyclohexyl-2-methylsulfanylethanamine?
The canonical SMILES for 1-cyclohexyl-2-methylsulfanylethanamine is CSCC(N)C1CCCCC1.
What is the InChIKey of 1-cyclohexyl-2-methylsulfanylethanamine?
The InChIKey is MXDYQIBOZIKWHU-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H19NS/c1-11-7-9(10)8-5-3-2-4-6-8/h8-9H,2-7,10H2,1H3.
What are the key properties of 1-cyclohexyl-2-methylsulfanylethanamine?
1-cyclohexyl-2-methylsulfanylethanamine has a molecular weight of 173.32 g/mol, XLogP of 2.26, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-cyclohexyl-2-methylsulfanylethanamine is sourced from PubChem (CID 62691518), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).