N-ethylethanamine;(ethyltrisulfanyl)ethane

C8H21NS3 — CID 18521155

IUPACN-ethylethanamine;(ethyltrisulfanyl)ethane
SMILESCCNCC.CCSSSCC
InChIInChI=1S/C4H11N.C4H10S3/c1-3-5-4-2;1-3-5-7-6-4-2/h5H,3-4H2,1-2H3;3-4H2,1-2H3
InChIKeyPVZRYJNIQNBAHP-UHFFFAOYSA-N
MW227.46 g/mol
LogP3.67
Rot. Bonds6

About N-ethylethanamine;(ethyltrisulfanyl)ethane

N-ethylethanamine;(ethyltrisulfanyl)ethane (PubChem CID 18521155) has the molecular formula C8H21NS3 and a molecular weight of 227.46 g/mol. Its IUPAC name is N-ethylethanamine;(ethyltrisulfanyl)ethane.

Molecular Properties

Compound NameN-ethylethanamine;(ethyltrisulfanyl)ethane
PubChem CID18521155
Molecular FormulaC8H21NS3
Molecular Weight227.46 g/mol
Exact Mass227.08
IUPAC NameN-ethylethanamine;(ethyltrisulfanyl)ethane
SMILESCCNCC.CCSSSCC
InChIInChI=1S/C4H11N.C4H10S3/c1-3-5-4-2;1-3-5-7-6-4-2/h5H,3-4H2,1-2H3;3-4H2,1-2H3
InChIKeyPVZRYJNIQNBAHP-UHFFFAOYSA-N
XLogP3.67
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500227.46
LogP ≤ 53.67
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of N-ethylethanamine;(ethyltrisulfanyl)ethane?
The IUPAC name of N-ethylethanamine;(ethyltrisulfanyl)ethane (CID 18521155) is N-ethylethanamine;(ethyltrisulfanyl)ethane.
What is the SMILES notation for N-ethylethanamine;(ethyltrisulfanyl)ethane?
The canonical SMILES for N-ethylethanamine;(ethyltrisulfanyl)ethane is CCNCC.CCSSSCC.
What is the InChIKey of N-ethylethanamine;(ethyltrisulfanyl)ethane?
The InChIKey is PVZRYJNIQNBAHP-UHFFFAOYSA-N. The full InChI is InChI=1S/C4H11N.C4H10S3/c1-3-5-4-2;1-3-5-7-6-4-2/h5H,3-4H2,1-2H3;3-4H2,1-2H3.
What are the key properties of N-ethylethanamine;(ethyltrisulfanyl)ethane?
N-ethylethanamine;(ethyltrisulfanyl)ethane has a molecular weight of 227.46 g/mol, XLogP of 3.67, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethylethanamine;(ethyltrisulfanyl)ethane is sourced from PubChem (CID 18521155), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).