ethane;N-methyl-2-[2-(methylamino)ethyldisulfanyl]ethanamine

C8H22N2S2 — CID 165401682

IUPACethane;N-methyl-2-[2-(methylamino)ethyldisulfanyl]ethanamine
SMILESCC.CNCCSSCCNC
InChIInChI=1S/C6H16N2S2.C2H6/c1-7-3-5-9-10-6-4-8-2;1-2/h7-8H,3-6H2,1-2H3;1-2H3
InChIKeyXKJUJOWHHUZULO-UHFFFAOYSA-N
MW210.41 g/mol
LogP1.83
Rot. Bonds7

About ethane;N-methyl-2-[2-(methylamino)ethyldisulfanyl]ethanamine

ethane;N-methyl-2-[2-(methylamino)ethyldisulfanyl]ethanamine (PubChem CID 165401682) has the molecular formula C8H22N2S2 and a molecular weight of 210.41 g/mol. Its IUPAC name is ethane;N-methyl-2-[2-(methylamino)ethyldisulfanyl]ethanamine.

Molecular Properties

Compound Nameethane;N-methyl-2-[2-(methylamino)ethyldisulfanyl]ethanamine
PubChem CID165401682
Molecular FormulaC8H22N2S2
Molecular Weight210.41 g/mol
Exact Mass210.12
IUPAC Nameethane;N-methyl-2-[2-(methylamino)ethyldisulfanyl]ethanamine
SMILESCC.CNCCSSCCNC
InChIInChI=1S/C6H16N2S2.C2H6/c1-7-3-5-9-10-6-4-8-2;1-2/h7-8H,3-6H2,1-2H3;1-2H3
InChIKeyXKJUJOWHHUZULO-UHFFFAOYSA-N
XLogP1.83
TPSA24.06 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500210.41
LogP ≤ 51.83
H-Bond Donors ≤ 52
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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Related Compounds

Ethanamine, 2,2'-dithiobis(N,N-dimethyl-, dihydrochloride
CID 28484
Ethanamine, 2,2'-dithiobis(N-methyl-
CID 145763
N-[2-[2-(tert-butylamino)ethyldisulfanyl]ethyl]-2-methylpropan-2-amine
CID 13808944
2-[2-(Methylamino)ethyldisulfanyl]ethanamine
CID 424085
2-[2-(Methylamino)ethyldisulfanyl]ethanamine;hydrochloride
CID 24193956
2,2'-Disulfanediylbis(N-methylethan-1-amine) dihydrochloride
CID 12574417
Ethyl(2-{[2-(ethylamino)ethyl]disulfanyl}ethyl)amine
CID 15739298
N-ethylethanamine;(ethyltrisulfanyl)ethane
CID 18521155
2-[2-[2-(2-Aminoethyldisulfanyl)ethyl-methylamino]ethyldisulfanyl]ethanamine
CID 20813436
N-methyl-2-(propyldisulfanyl)ethanamine
CID 21133412
(ethyldisulfanyl)ethane;N-ethylethanamine
CID 22328288
N'-ethylsulfanyl-N-[(methyldisulfanyl)methyl]ethane-1,2-diamine
CID 22961184

Frequently Asked Questions

What is the IUPAC name of ethane;N-methyl-2-[2-(methylamino)ethyldisulfanyl]ethanamine?
The IUPAC name of ethane;N-methyl-2-[2-(methylamino)ethyldisulfanyl]ethanamine (CID 165401682) is ethane;N-methyl-2-[2-(methylamino)ethyldisulfanyl]ethanamine.
What is the SMILES notation for ethane;N-methyl-2-[2-(methylamino)ethyldisulfanyl]ethanamine?
The canonical SMILES for ethane;N-methyl-2-[2-(methylamino)ethyldisulfanyl]ethanamine is CC.CNCCSSCCNC.
What is the InChIKey of ethane;N-methyl-2-[2-(methylamino)ethyldisulfanyl]ethanamine?
The InChIKey is XKJUJOWHHUZULO-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H16N2S2.C2H6/c1-7-3-5-9-10-6-4-8-2;1-2/h7-8H,3-6H2,1-2H3;1-2H3.
What are the key properties of ethane;N-methyl-2-[2-(methylamino)ethyldisulfanyl]ethanamine?
ethane;N-methyl-2-[2-(methylamino)ethyldisulfanyl]ethanamine has a molecular weight of 210.41 g/mol, XLogP of 1.83, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for ethane;N-methyl-2-[2-(methylamino)ethyldisulfanyl]ethanamine is sourced from PubChem (CID 165401682), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).