N'-[2-[2-(dimethylamino)ethyldisulfanyl]ethyl]-N,N-dimethyl-N'-[2-[2-(methylamino)ethyldisulfanyl]ethyl]ethane-1,2-diamine

C15H36N4S4 — CID 89213549

IUPACN'-[2-[2-(dimethylamino)ethyldisulfanyl]ethyl]-N,N-dimethyl-N'-[2-[2-(methylamino)ethyldisulfanyl]ethyl]ethane-1,2-diamine
SMILESCNCCSSCCN(CCSSCCN(C)C)CCN(C)C
InChIInChI=1S/C15H36N4S4/c1-16-6-12-20-22-14-10-19(8-7-17(2)3)11-15-23-21-13-9-18(4)5/h16H,6-15H2,1-5H3
InChIKeyQOYISRWEKUVYND-UHFFFAOYSA-N
MW400.75 g/mol
LogP2.39
Rot. Bonds17

About N'-[2-[2-(dimethylamino)ethyldisulfanyl]ethyl]-N,N-dimethyl-N'-[2-[2-(methylamino)ethyldisulfanyl]ethyl]ethane-1,2-diamine

N'-[2-[2-(dimethylamino)ethyldisulfanyl]ethyl]-N,N-dimethyl-N'-[2-[2-(methylamino)ethyldisulfanyl]ethyl]ethane-1,2-diamine (PubChem CID 89213549) has the molecular formula C15H36N4S4 and a molecular weight of 400.75 g/mol. Its IUPAC name is N'-[2-[2-(dimethylamino)ethyldisulfanyl]ethyl]-N,N-dimethyl-N'-[2-[2-(methylamino)ethyldisulfanyl]ethyl]ethane-1,2-diamine.

Molecular Properties

Compound NameN'-[2-[2-(dimethylamino)ethyldisulfanyl]ethyl]-N,N-dimethyl-N'-[2-[2-(methylamino)ethyldisulfanyl]ethyl]ethane-1,2-diamine
PubChem CID89213549
Molecular FormulaC15H36N4S4
Molecular Weight400.75 g/mol
Exact Mass400.18
IUPAC NameN'-[2-[2-(dimethylamino)ethyldisulfanyl]ethyl]-N,N-dimethyl-N'-[2-[2-(methylamino)ethyldisulfanyl]ethyl]ethane-1,2-diamine
SMILESCNCCSSCCN(CCSSCCN(C)C)CCN(C)C
InChIInChI=1S/C15H36N4S4/c1-16-6-12-20-22-14-10-19(8-7-17(2)3)11-15-23-21-13-9-18(4)5/h16H,6-15H2,1-5H3
InChIKeyQOYISRWEKUVYND-UHFFFAOYSA-N
XLogP2.39
TPSA21.75 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds17
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500400.75
LogP ≤ 52.39
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of N'-[2-[2-(dimethylamino)ethyldisulfanyl]ethyl]-N,N-dimethyl-N'-[2-[2-(methylamino)ethyldisulfanyl]ethyl]ethane-1,2-diamine?
The IUPAC name of N'-[2-[2-(dimethylamino)ethyldisulfanyl]ethyl]-N,N-dimethyl-N'-[2-[2-(methylamino)ethyldisulfanyl]ethyl]ethane-1,2-diamine (CID 89213549) is N'-[2-[2-(dimethylamino)ethyldisulfanyl]ethyl]-N,N-dimethyl-N'-[2-[2-(methylamino)ethyldisulfanyl]ethyl]ethane-1,2-diamine.
What is the SMILES notation for N'-[2-[2-(dimethylamino)ethyldisulfanyl]ethyl]-N,N-dimethyl-N'-[2-[2-(methylamino)ethyldisulfanyl]ethyl]ethane-1,2-diamine?
The canonical SMILES for N'-[2-[2-(dimethylamino)ethyldisulfanyl]ethyl]-N,N-dimethyl-N'-[2-[2-(methylamino)ethyldisulfanyl]ethyl]ethane-1,2-diamine is CNCCSSCCN(CCSSCCN(C)C)CCN(C)C.
What is the InChIKey of N'-[2-[2-(dimethylamino)ethyldisulfanyl]ethyl]-N,N-dimethyl-N'-[2-[2-(methylamino)ethyldisulfanyl]ethyl]ethane-1,2-diamine?
The InChIKey is QOYISRWEKUVYND-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H36N4S4/c1-16-6-12-20-22-14-10-19(8-7-17(2)3)11-15-23-21-13-9-18(4)5/h16H,6-15H2,1-5H3.
What are the key properties of N'-[2-[2-(dimethylamino)ethyldisulfanyl]ethyl]-N,N-dimethyl-N'-[2-[2-(methylamino)ethyldisulfanyl]ethyl]ethane-1,2-diamine?
N'-[2-[2-(dimethylamino)ethyldisulfanyl]ethyl]-N,N-dimethyl-N'-[2-[2-(methylamino)ethyldisulfanyl]ethyl]ethane-1,2-diamine has a molecular weight of 400.75 g/mol, XLogP of 2.39, 17 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for N'-[2-[2-(dimethylamino)ethyldisulfanyl]ethyl]-N,N-dimethyl-N'-[2-[2-(methylamino)ethyldisulfanyl]ethyl]ethane-1,2-diamine is sourced from PubChem (CID 89213549), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).