ethane;N-[2-[2-[methyl(propyl)amino]ethyldisulfanyl]ethyl]propan-1-amine

C13H32N2S2 — CID 156869007

IUPACethane;N-[2-[2-[methyl(propyl)amino]ethyldisulfanyl]ethyl]propan-1-amine
SMILESCC.CCCNCCSSCCN(C)CCC
InChIInChI=1S/C11H26N2S2.C2H6/c1-4-6-12-7-10-14-15-11-9-13(3)8-5-2;1-2/h12H,4-11H2,1-3H3;1-2H3
InChIKeyGLXVNRYZWGCMGW-UHFFFAOYSA-N
MW280.55 g/mol
LogP3.74
Rot. Bonds11

About ethane;N-[2-[2-[methyl(propyl)amino]ethyldisulfanyl]ethyl]propan-1-amine

ethane;N-[2-[2-[methyl(propyl)amino]ethyldisulfanyl]ethyl]propan-1-amine (PubChem CID 156869007) has the molecular formula C13H32N2S2 and a molecular weight of 280.55 g/mol. Its IUPAC name is ethane;N-[2-[2-[methyl(propyl)amino]ethyldisulfanyl]ethyl]propan-1-amine.

Molecular Properties

Compound Nameethane;N-[2-[2-[methyl(propyl)amino]ethyldisulfanyl]ethyl]propan-1-amine
PubChem CID156869007
Molecular FormulaC13H32N2S2
Molecular Weight280.55 g/mol
Exact Mass280.20
IUPAC Nameethane;N-[2-[2-[methyl(propyl)amino]ethyldisulfanyl]ethyl]propan-1-amine
SMILESCC.CCCNCCSSCCN(C)CCC
InChIInChI=1S/C11H26N2S2.C2H6/c1-4-6-12-7-10-14-15-11-9-13(3)8-5-2;1-2/h12H,4-11H2,1-3H3;1-2H3
InChIKeyGLXVNRYZWGCMGW-UHFFFAOYSA-N
XLogP3.74
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds11
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500280.55
LogP ≤ 53.74
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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Related Compounds

Bis(2-(3-aminopropylamino)ethyl)disulfide
CID 115059
2-{[3-(Diethylamino)propyl]amino}ethanethiol
CID 262971
3-[3-(diethylamino)propyldisulfanyl]-N,N-diethyl-propan-1-amine
CID 458631
1,2-Dithia-5,9-diazacycloundecane
CID 53686808
Aminopropylcystamine
CID 129709970
2,12-Dithio-5,9-diazatridecane
CID 129760667
N,N''-(Dithiodi-3,1-propanediyl)bis(N'-methyl-1,3-propanediamine)
CID 177312
Ethyl(2-{[2-(ethylamino)ethyl]disulfanyl}ethyl)amine
CID 15739298
N-ethylethanamine;(ethyltrisulfanyl)ethane
CID 18521155
Ethanethiol, 1-[bis(3-aminopropyl)amino]-
CID 19757883
2-[Butyl-(3-{3-[butyl-(2-mercapto-ethyl)-amino]-propylamino}-propyl)-amino]-ethanethiol
CID 19920940
2-{Butyl-[3-(3-butylamino-propylamino)-propyl]-amino}-ethanethiol
CID 19920944

Frequently Asked Questions

What is the IUPAC name of ethane;N-[2-[2-[methyl(propyl)amino]ethyldisulfanyl]ethyl]propan-1-amine?
The IUPAC name of ethane;N-[2-[2-[methyl(propyl)amino]ethyldisulfanyl]ethyl]propan-1-amine (CID 156869007) is ethane;N-[2-[2-[methyl(propyl)amino]ethyldisulfanyl]ethyl]propan-1-amine.
What is the SMILES notation for ethane;N-[2-[2-[methyl(propyl)amino]ethyldisulfanyl]ethyl]propan-1-amine?
The canonical SMILES for ethane;N-[2-[2-[methyl(propyl)amino]ethyldisulfanyl]ethyl]propan-1-amine is CC.CCCNCCSSCCN(C)CCC.
What is the InChIKey of ethane;N-[2-[2-[methyl(propyl)amino]ethyldisulfanyl]ethyl]propan-1-amine?
The InChIKey is GLXVNRYZWGCMGW-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H26N2S2.C2H6/c1-4-6-12-7-10-14-15-11-9-13(3)8-5-2;1-2/h12H,4-11H2,1-3H3;1-2H3.
What are the key properties of ethane;N-[2-[2-[methyl(propyl)amino]ethyldisulfanyl]ethyl]propan-1-amine?
ethane;N-[2-[2-[methyl(propyl)amino]ethyldisulfanyl]ethyl]propan-1-amine has a molecular weight of 280.55 g/mol, XLogP of 3.74, 11 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for ethane;N-[2-[2-[methyl(propyl)amino]ethyldisulfanyl]ethyl]propan-1-amine is sourced from PubChem (CID 156869007), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).