2-[2-[2-[2-[2-[2-(diethylamino)ethylsulfanyl]ethoxy]ethoxy]ethoxy]ethylsulfanyl]-N-ethyl-N-methylethanamine

C19H42N2O3S2 — CID 165060466

IUPAC2-[2-[2-[2-[2-[2-(diethylamino)ethylsulfanyl]ethoxy]ethoxy]ethoxy]ethylsulfanyl]-N-ethyl-N-methylethanamine
SMILESCCN(C)CCSCCOCCOCCOCCSCCN(CC)CC
InChIInChI=1S/C19H42N2O3S2/c1-5-20(4)8-16-25-18-14-23-12-10-22-11-13-24-15-19-26-17-9-21(6-2)7-3/h5-19H2,1-4H3
InChIKeyPFFHDJPITNSPPP-UHFFFAOYSA-N
MW410.69 g/mol
LogP2.80
Rot. Bonds21

About 2-[2-[2-[2-[2-[2-(diethylamino)ethylsulfanyl]ethoxy]ethoxy]ethoxy]ethylsulfanyl]-N-ethyl-N-methylethanamine

2-[2-[2-[2-[2-[2-(diethylamino)ethylsulfanyl]ethoxy]ethoxy]ethoxy]ethylsulfanyl]-N-ethyl-N-methylethanamine (PubChem CID 165060466) has the molecular formula C19H42N2O3S2 and a molecular weight of 410.69 g/mol. Its IUPAC name is 2-[2-[2-[2-[2-[2-(diethylamino)ethylsulfanyl]ethoxy]ethoxy]ethoxy]ethylsulfanyl]-N-ethyl-N-methylethanamine.

Molecular Properties

Compound Name2-[2-[2-[2-[2-[2-(diethylamino)ethylsulfanyl]ethoxy]ethoxy]ethoxy]ethylsulfanyl]-N-ethyl-N-methylethanamine
PubChem CID165060466
Molecular FormulaC19H42N2O3S2
Molecular Weight410.69 g/mol
Exact Mass410.26
IUPAC Name2-[2-[2-[2-[2-[2-(diethylamino)ethylsulfanyl]ethoxy]ethoxy]ethoxy]ethylsulfanyl]-N-ethyl-N-methylethanamine
SMILESCCN(C)CCSCCOCCOCCOCCSCCN(CC)CC
InChIInChI=1S/C19H42N2O3S2/c1-5-20(4)8-16-25-18-14-23-12-10-22-11-13-24-15-19-26-17-9-21(6-2)7-3/h5-19H2,1-4H3
InChIKeyPFFHDJPITNSPPP-UHFFFAOYSA-N
XLogP2.80
TPSA34.17 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds21
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500410.69
LogP ≤ 52.80
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

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

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Related Compounds

2-(2-ethoxyethoxy)ethyl 3-[2-(diethylamino)ethylsulfanyl]propanoate
CID 164738857
N,N-diethyl-2-(10-ethylsulfanyldecylsulfanyl)ethanamine
CID 154220966
1-ethoxy-2-[2-[2-[2-(2-ethoxyethylsulfanyl)ethylsulfanyl]ethylsulfanyl]ethylsulfanyl]ethane
CID 5171446
3-[2-[ethyl(methyl)amino]ethylsulfanylmethyl]oxiran-2-ol
CID 129154023
1-[2-[2-[2-(2-butylsulfanylethoxy)ethoxy]ethoxy]ethoxy]butane
CID 4194759
N-ethyl-N-[2-[2-[2-[ethyl(methyl)amino]ethoxy]ethoxy]ethyl]propan-2-amine
CID 165119291
N-[2-[2-[ethyl(methyl)amino]ethoxy]ethyl]-N-methylpropan-2-amine
CID 177053557
2-[2-(diethylamino)ethylsulfanyl]ethane-1,1-diol
CID 134444307
20-[20-(diethylamino)icosoxy]-N,N-diethylicosan-1-amine
CID 87698049
N-ethyl-N-methyl-2-[2-[2-[2-[2-[2-(3-methylpentoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethanamine
CID 176934271
(2R)-1-[2-(diethylamino)ethylsulfanyl]propan-2-ol
CID 106933404
N,N-diethyl-2-(2-trimethoxysilylethoxy)ethanamine
CID 90074439

Frequently Asked Questions

What is the IUPAC name of 2-[2-[2-[2-[2-[2-(diethylamino)ethylsulfanyl]ethoxy]ethoxy]ethoxy]ethylsulfanyl]-N-ethyl-N-methylethanamine?
The IUPAC name of 2-[2-[2-[2-[2-[2-(diethylamino)ethylsulfanyl]ethoxy]ethoxy]ethoxy]ethylsulfanyl]-N-ethyl-N-methylethanamine (CID 165060466) is 2-[2-[2-[2-[2-[2-(diethylamino)ethylsulfanyl]ethoxy]ethoxy]ethoxy]ethylsulfanyl]-N-ethyl-N-methylethanamine.
What is the SMILES notation for 2-[2-[2-[2-[2-[2-(diethylamino)ethylsulfanyl]ethoxy]ethoxy]ethoxy]ethylsulfanyl]-N-ethyl-N-methylethanamine?
The canonical SMILES for 2-[2-[2-[2-[2-[2-(diethylamino)ethylsulfanyl]ethoxy]ethoxy]ethoxy]ethylsulfanyl]-N-ethyl-N-methylethanamine is CCN(C)CCSCCOCCOCCOCCSCCN(CC)CC.
What is the InChIKey of 2-[2-[2-[2-[2-[2-(diethylamino)ethylsulfanyl]ethoxy]ethoxy]ethoxy]ethylsulfanyl]-N-ethyl-N-methylethanamine?
The InChIKey is PFFHDJPITNSPPP-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H42N2O3S2/c1-5-20(4)8-16-25-18-14-23-12-10-22-11-13-24-15-19-26-17-9-21(6-2)7-3/h5-19H2,1-4H3.
What are the key properties of 2-[2-[2-[2-[2-[2-(diethylamino)ethylsulfanyl]ethoxy]ethoxy]ethoxy]ethylsulfanyl]-N-ethyl-N-methylethanamine?
2-[2-[2-[2-[2-[2-(diethylamino)ethylsulfanyl]ethoxy]ethoxy]ethoxy]ethylsulfanyl]-N-ethyl-N-methylethanamine has a molecular weight of 410.69 g/mol, XLogP of 2.80, 21 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-[2-[2-[2-[2-(diethylamino)ethylsulfanyl]ethoxy]ethoxy]ethoxy]ethylsulfanyl]-N-ethyl-N-methylethanamine is sourced from PubChem (CID 165060466), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).