2-butylsulfanyl-N-ethylethanamine

C8H19NS — CID 61386330

IUPAC2-butylsulfanyl-N-ethylethanamine
SMILESCCCCSCCNCC
InChIInChI=1S/C8H19NS/c1-3-5-7-10-8-6-9-4-2/h9H,3-8H2,1-2H3
InChIKeyVMPHRHWNDLEETR-UHFFFAOYSA-N
MW161.31 g/mol
LogP2.13
Rot. Bonds7

About 2-butylsulfanyl-N-ethylethanamine

2-butylsulfanyl-N-ethylethanamine (PubChem CID 61386330) has the molecular formula C8H19NS and a molecular weight of 161.31 g/mol. Its IUPAC name is 2-butylsulfanyl-N-ethylethanamine.

Molecular Properties

Compound Name2-butylsulfanyl-N-ethylethanamine
PubChem CID61386330
Molecular FormulaC8H19NS
Molecular Weight161.31 g/mol
Exact Mass161.12
IUPAC Name2-butylsulfanyl-N-ethylethanamine
SMILESCCCCSCCNCC
InChIInChI=1S/C8H19NS/c1-3-5-7-10-8-6-9-4-2/h9H,3-8H2,1-2H3
InChIKeyVMPHRHWNDLEETR-UHFFFAOYSA-N
XLogP2.13
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500161.31
LogP ≤ 52.13
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2-butylsulfanyl-N-ethylethanamine?
The IUPAC name of 2-butylsulfanyl-N-ethylethanamine (CID 61386330) is 2-butylsulfanyl-N-ethylethanamine.
What is the SMILES notation for 2-butylsulfanyl-N-ethylethanamine?
The canonical SMILES for 2-butylsulfanyl-N-ethylethanamine is CCCCSCCNCC.
What is the InChIKey of 2-butylsulfanyl-N-ethylethanamine?
The InChIKey is VMPHRHWNDLEETR-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H19NS/c1-3-5-7-10-8-6-9-4-2/h9H,3-8H2,1-2H3.
What are the key properties of 2-butylsulfanyl-N-ethylethanamine?
2-butylsulfanyl-N-ethylethanamine has a molecular weight of 161.31 g/mol, XLogP of 2.13, 7 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-butylsulfanyl-N-ethylethanamine is sourced from PubChem (CID 61386330), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).