1-ethylsulfanyl-5-methoxy-5-methylhexan-2-amine

C10H23NOS — CID 103035686

IUPAC1-ethylsulfanyl-5-methoxy-5-methylhexan-2-amine
SMILESCCSCC(N)CCC(C)(C)OC
InChIInChI=1S/C10H23NOS/c1-5-13-8-9(11)6-7-10(2,3)12-4/h9H,5-8,11H2,1-4H3
InChIKeyZGUHBAUQDCULRF-UHFFFAOYSA-N
MW205.37 g/mol
LogP2.27
Rot. Bonds7

About 1-ethylsulfanyl-5-methoxy-5-methylhexan-2-amine

1-ethylsulfanyl-5-methoxy-5-methylhexan-2-amine (PubChem CID 103035686) has the molecular formula C10H23NOS and a molecular weight of 205.37 g/mol. Its IUPAC name is 1-ethylsulfanyl-5-methoxy-5-methylhexan-2-amine.

Molecular Properties

Compound Name1-ethylsulfanyl-5-methoxy-5-methylhexan-2-amine
PubChem CID103035686
Molecular FormulaC10H23NOS
Molecular Weight205.37 g/mol
Exact Mass205.15
IUPAC Name1-ethylsulfanyl-5-methoxy-5-methylhexan-2-amine
SMILESCCSCC(N)CCC(C)(C)OC
InChIInChI=1S/C10H23NOS/c1-5-13-8-9(11)6-7-10(2,3)12-4/h9H,5-8,11H2,1-4H3
InChIKeyZGUHBAUQDCULRF-UHFFFAOYSA-N
XLogP2.27
TPSA35.25 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500205.37
LogP ≤ 52.27
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-ethylsulfanyl-5-methoxy-5-methylhexan-2-amine?
The IUPAC name of 1-ethylsulfanyl-5-methoxy-5-methylhexan-2-amine (CID 103035686) is 1-ethylsulfanyl-5-methoxy-5-methylhexan-2-amine.
What is the SMILES notation for 1-ethylsulfanyl-5-methoxy-5-methylhexan-2-amine?
The canonical SMILES for 1-ethylsulfanyl-5-methoxy-5-methylhexan-2-amine is CCSCC(N)CCC(C)(C)OC.
What is the InChIKey of 1-ethylsulfanyl-5-methoxy-5-methylhexan-2-amine?
The InChIKey is ZGUHBAUQDCULRF-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H23NOS/c1-5-13-8-9(11)6-7-10(2,3)12-4/h9H,5-8,11H2,1-4H3.
What are the key properties of 1-ethylsulfanyl-5-methoxy-5-methylhexan-2-amine?
1-ethylsulfanyl-5-methoxy-5-methylhexan-2-amine has a molecular weight of 205.37 g/mol, XLogP of 2.27, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-ethylsulfanyl-5-methoxy-5-methylhexan-2-amine is sourced from PubChem (CID 103035686), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).