ethane;2-[2-(methylamino)ethyldisulfanyl]propan-2-amine

C8H22N2S2 — CID 155684024

IUPACethane;2-[2-(methylamino)ethyldisulfanyl]propan-2-amine
SMILESCC.CNCCSSC(C)(C)N
InChIInChI=1S/C6H16N2S2.C2H6/c1-6(2,7)10-9-5-4-8-3;1-2/h8H,4-5,7H2,1-3H3;1-2H3
InChIKeyAPMQEZWIFRPWCU-UHFFFAOYSA-N
MW210.41 g/mol
LogP2.31
Rot. Bonds5

About ethane;2-[2-(methylamino)ethyldisulfanyl]propan-2-amine

ethane;2-[2-(methylamino)ethyldisulfanyl]propan-2-amine (PubChem CID 155684024) has the molecular formula C8H22N2S2 and a molecular weight of 210.41 g/mol. Its IUPAC name is ethane;2-[2-(methylamino)ethyldisulfanyl]propan-2-amine.

Molecular Properties

Compound Nameethane;2-[2-(methylamino)ethyldisulfanyl]propan-2-amine
PubChem CID155684024
Molecular FormulaC8H22N2S2
Molecular Weight210.41 g/mol
Exact Mass210.12
IUPAC Nameethane;2-[2-(methylamino)ethyldisulfanyl]propan-2-amine
SMILESCC.CNCCSSC(C)(C)N
InChIInChI=1S/C6H16N2S2.C2H6/c1-6(2,7)10-9-5-4-8-3;1-2/h8H,4-5,7H2,1-3H3;1-2H3
InChIKeyAPMQEZWIFRPWCU-UHFFFAOYSA-N
XLogP2.31
TPSA38.05 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500210.41
LogP ≤ 52.31
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'}, {'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}

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Related Compounds

Ethanamine, 2,2'-dithiobis(N,N-dimethyl-, dihydrochloride
CID 28484
N-[2-[2-(tert-butylamino)ethyldisulfanyl]ethyl]-2-methylpropan-2-amine;dihydrochloride
CID 52944189
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
Ethyl(2-{[2-(ethylamino)ethyl]disulfanyl}ethyl)amine
CID 15739298
N-ethylethanamine;(ethyltrisulfanyl)ethane
CID 18521155
N-methyl-2-(propyldisulfanyl)ethanamine
CID 21133412
1-(2-aminoethyldisulfanyl)-N,N,2-trimethylpropan-2-amine
CID 21477406
(ethyldisulfanyl)ethane;N-ethylethanamine
CID 22328288
N-methyl-2-[2-[2-[2-(methylamino)ethylsulfanyl]ethylsulfanyl]ethylsulfanyl]ethanamine
CID 23002826
N-methyl-N'-[2-[2-[3-(methylamino)propylamino]ethyldisulfanyl]ethyl]propane-1,3-diamine
CID 50943383

Frequently Asked Questions

What is the IUPAC name of ethane;2-[2-(methylamino)ethyldisulfanyl]propan-2-amine?
The IUPAC name of ethane;2-[2-(methylamino)ethyldisulfanyl]propan-2-amine (CID 155684024) is ethane;2-[2-(methylamino)ethyldisulfanyl]propan-2-amine.
What is the SMILES notation for ethane;2-[2-(methylamino)ethyldisulfanyl]propan-2-amine?
The canonical SMILES for ethane;2-[2-(methylamino)ethyldisulfanyl]propan-2-amine is CC.CNCCSSC(C)(C)N.
What is the InChIKey of ethane;2-[2-(methylamino)ethyldisulfanyl]propan-2-amine?
The InChIKey is APMQEZWIFRPWCU-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H16N2S2.C2H6/c1-6(2,7)10-9-5-4-8-3;1-2/h8H,4-5,7H2,1-3H3;1-2H3.
What are the key properties of ethane;2-[2-(methylamino)ethyldisulfanyl]propan-2-amine?
ethane;2-[2-(methylamino)ethyldisulfanyl]propan-2-amine has a molecular weight of 210.41 g/mol, XLogP of 2.31, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for ethane;2-[2-(methylamino)ethyldisulfanyl]propan-2-amine is sourced from PubChem (CID 155684024), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).