N,N-diethyl-2-(10-ethylsulfanyldecylsulfanyl)ethanamine

C18H39NS2 — CID 154220966

IUPACN,N-diethyl-2-(10-ethylsulfanyldecylsulfanyl)ethanamine
SMILESCCSCCCCCCCCCCSCCN(CC)CC
InChIInChI=1S/C18H39NS2/c1-4-19(5-2)15-18-21-17-14-12-10-8-7-9-11-13-16-20-6-3/h4-18H2,1-3H3
InChIKeyWVMFNVBQJZELRS-UHFFFAOYSA-N
MW333.65 g/mol
LogP5.94
Rot. Bonds17

About N,N-diethyl-2-(10-ethylsulfanyldecylsulfanyl)ethanamine

N,N-diethyl-2-(10-ethylsulfanyldecylsulfanyl)ethanamine (PubChem CID 154220966) has the molecular formula C18H39NS2 and a molecular weight of 333.65 g/mol. Its IUPAC name is N,N-diethyl-2-(10-ethylsulfanyldecylsulfanyl)ethanamine.

Molecular Properties

Compound NameN,N-diethyl-2-(10-ethylsulfanyldecylsulfanyl)ethanamine
PubChem CID154220966
Molecular FormulaC18H39NS2
Molecular Weight333.65 g/mol
Exact Mass333.25
IUPAC NameN,N-diethyl-2-(10-ethylsulfanyldecylsulfanyl)ethanamine
SMILESCCSCCCCCCCCCCSCCN(CC)CC
InChIInChI=1S/C18H39NS2/c1-4-19(5-2)15-18-21-17-14-12-10-8-7-9-11-13-16-20-6-3/h4-18H2,1-3H3
InChIKeyWVMFNVBQJZELRS-UHFFFAOYSA-N
XLogP5.94
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds17
Heavy Atoms21
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500333.65
LogP ≤ 55.94
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

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1-[ethyl(2-ethylsulfanylethyl)amino]-2-methylpropan-2-ol
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N,N-bis(2-butylsulfanylethyl)butan-1-amine
CID 5071459
7-ethylsulfanylheptan-1-amine
CID 153391280
6-ethylsulfanylhexane-1-thiol
CID 23423869
1-ethylsulfanyl-2-[2-[2-(2-ethylsulfanylethylsulfanyl)ethylsulfanyl]ethylsulfanyl]ethane
CID 121008102
2-[2-(diethylamino)ethylsulfanyl]ethane-1,1-diol
CID 134444307
1-tetracosylsulfanyltetracosane
CID 14647813
1-tetracosylsulfanyloctacosane
CID 87077758
1-octadecylsulfanyloctacosane
CID 87077538

Frequently Asked Questions

What is the IUPAC name of N,N-diethyl-2-(10-ethylsulfanyldecylsulfanyl)ethanamine?
The IUPAC name of N,N-diethyl-2-(10-ethylsulfanyldecylsulfanyl)ethanamine (CID 154220966) is N,N-diethyl-2-(10-ethylsulfanyldecylsulfanyl)ethanamine.
What is the SMILES notation for N,N-diethyl-2-(10-ethylsulfanyldecylsulfanyl)ethanamine?
The canonical SMILES for N,N-diethyl-2-(10-ethylsulfanyldecylsulfanyl)ethanamine is CCSCCCCCCCCCCSCCN(CC)CC.
What is the InChIKey of N,N-diethyl-2-(10-ethylsulfanyldecylsulfanyl)ethanamine?
The InChIKey is WVMFNVBQJZELRS-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H39NS2/c1-4-19(5-2)15-18-21-17-14-12-10-8-7-9-11-13-16-20-6-3/h4-18H2,1-3H3.
What are the key properties of N,N-diethyl-2-(10-ethylsulfanyldecylsulfanyl)ethanamine?
N,N-diethyl-2-(10-ethylsulfanyldecylsulfanyl)ethanamine has a molecular weight of 333.65 g/mol, XLogP of 5.94, 17 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N,N-diethyl-2-(10-ethylsulfanyldecylsulfanyl)ethanamine is sourced from PubChem (CID 154220966), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).