4-ethyl-1-ethylsulfanyl-N-propylhexan-2-amine

C13H29NS — CID 82923156

IUPAC4-ethyl-1-ethylsulfanyl-N-propylhexan-2-amine
SMILESCCCNC(CSCC)CC(CC)CC
InChIInChI=1S/C13H29NS/c1-5-9-14-13(11-15-8-4)10-12(6-2)7-3/h12-14H,5-11H2,1-4H3
InChIKeyPLEDCRDZLGWHMP-UHFFFAOYSA-N
MW231.45 g/mol
LogP3.93
Rot. Bonds10

About 4-ethyl-1-ethylsulfanyl-N-propylhexan-2-amine

4-ethyl-1-ethylsulfanyl-N-propylhexan-2-amine (PubChem CID 82923156) has the molecular formula C13H29NS and a molecular weight of 231.45 g/mol. Its IUPAC name is 4-ethyl-1-ethylsulfanyl-N-propylhexan-2-amine.

Molecular Properties

Compound Name4-ethyl-1-ethylsulfanyl-N-propylhexan-2-amine
PubChem CID82923156
Molecular FormulaC13H29NS
Molecular Weight231.45 g/mol
Exact Mass231.20
IUPAC Name4-ethyl-1-ethylsulfanyl-N-propylhexan-2-amine
SMILESCCCNC(CSCC)CC(CC)CC
InChIInChI=1S/C13H29NS/c1-5-9-14-13(11-15-8-4)10-12(6-2)7-3/h12-14H,5-11H2,1-4H3
InChIKeyPLEDCRDZLGWHMP-UHFFFAOYSA-N
XLogP3.93
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds10
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500231.45
LogP ≤ 53.93
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 4-ethyl-1-ethylsulfanyl-N-propylhexan-2-amine?
The IUPAC name of 4-ethyl-1-ethylsulfanyl-N-propylhexan-2-amine (CID 82923156) is 4-ethyl-1-ethylsulfanyl-N-propylhexan-2-amine.
What is the SMILES notation for 4-ethyl-1-ethylsulfanyl-N-propylhexan-2-amine?
The canonical SMILES for 4-ethyl-1-ethylsulfanyl-N-propylhexan-2-amine is CCCNC(CSCC)CC(CC)CC.
What is the InChIKey of 4-ethyl-1-ethylsulfanyl-N-propylhexan-2-amine?
The InChIKey is PLEDCRDZLGWHMP-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H29NS/c1-5-9-14-13(11-15-8-4)10-12(6-2)7-3/h12-14H,5-11H2,1-4H3.
What are the key properties of 4-ethyl-1-ethylsulfanyl-N-propylhexan-2-amine?
4-ethyl-1-ethylsulfanyl-N-propylhexan-2-amine has a molecular weight of 231.45 g/mol, XLogP of 3.93, 10 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-ethyl-1-ethylsulfanyl-N-propylhexan-2-amine is sourced from PubChem (CID 82923156), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).