1-(1-ethylsulfanylcyclohexyl)ethanamine

C10H21NS — CID 115017412

IUPAC1-(1-ethylsulfanylcyclohexyl)ethanamine
SMILESCCSC1(C(C)N)CCCCC1
InChIInChI=1S/C10H21NS/c1-3-12-10(9(2)11)7-5-4-6-8-10/h9H,3-8,11H2,1-2H3
InChIKeyCGKVZRTWAXDONU-UHFFFAOYSA-N
MW187.35 g/mol
LogP2.79
Rot. Bonds3

About 1-(1-ethylsulfanylcyclohexyl)ethanamine

1-(1-ethylsulfanylcyclohexyl)ethanamine (PubChem CID 115017412) has the molecular formula C10H21NS and a molecular weight of 187.35 g/mol. Its IUPAC name is 1-(1-ethylsulfanylcyclohexyl)ethanamine.

Molecular Properties

Compound Name1-(1-ethylsulfanylcyclohexyl)ethanamine
PubChem CID115017412
Molecular FormulaC10H21NS
Molecular Weight187.35 g/mol
Exact Mass187.14
IUPAC Name1-(1-ethylsulfanylcyclohexyl)ethanamine
SMILESCCSC1(C(C)N)CCCCC1
InChIInChI=1S/C10H21NS/c1-3-12-10(9(2)11)7-5-4-6-8-10/h9H,3-8,11H2,1-2H3
InChIKeyCGKVZRTWAXDONU-UHFFFAOYSA-N
XLogP2.79
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500187.35
LogP ≤ 52.79
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1-(1-ethylsulfanylcyclohexyl)ethanamine?
The IUPAC name of 1-(1-ethylsulfanylcyclohexyl)ethanamine (CID 115017412) is 1-(1-ethylsulfanylcyclohexyl)ethanamine.
What is the SMILES notation for 1-(1-ethylsulfanylcyclohexyl)ethanamine?
The canonical SMILES for 1-(1-ethylsulfanylcyclohexyl)ethanamine is CCSC1(C(C)N)CCCCC1.
What is the InChIKey of 1-(1-ethylsulfanylcyclohexyl)ethanamine?
The InChIKey is CGKVZRTWAXDONU-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H21NS/c1-3-12-10(9(2)11)7-5-4-6-8-10/h9H,3-8,11H2,1-2H3.
What are the key properties of 1-(1-ethylsulfanylcyclohexyl)ethanamine?
1-(1-ethylsulfanylcyclohexyl)ethanamine has a molecular weight of 187.35 g/mol, XLogP of 2.79, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(1-ethylsulfanylcyclohexyl)ethanamine is sourced from PubChem (CID 115017412), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).