N,N'-bis[2-[2-[tert-butyl(methyl)amino]ethylsulfanyl]ethyl]-N,N'-dimethylethane-1,2-diamine

C22H50N4S2 — CID 174334503

IUPACN,N'-bis[2-[2-[tert-butyl(methyl)amino]ethylsulfanyl]ethyl]-N,N'-dimethylethane-1,2-diamine
SMILESCN(CCSCCN(C)C(C)(C)C)CCN(C)CCSCCN(C)C(C)(C)C
InChIInChI=1S/C22H50N4S2/c1-21(2,3)25(9)15-19-27-17-13-23(7)11-12-24(8)14-18-28-20-16-26(10)22(4,5)6/h11-20H2,1-10H3
InChIKeyORVRLNBRDMAYNO-UHFFFAOYSA-N
MW434.80 g/mol
LogP3.78
Rot. Bonds15

About N,N'-bis[2-[2-[tert-butyl(methyl)amino]ethylsulfanyl]ethyl]-N,N'-dimethylethane-1,2-diamine

N,N'-bis[2-[2-[tert-butyl(methyl)amino]ethylsulfanyl]ethyl]-N,N'-dimethylethane-1,2-diamine (PubChem CID 174334503) has the molecular formula C22H50N4S2 and a molecular weight of 434.80 g/mol. Its IUPAC name is N,N'-bis[2-[2-[tert-butyl(methyl)amino]ethylsulfanyl]ethyl]-N,N'-dimethylethane-1,2-diamine.

Molecular Properties

Compound NameN,N'-bis[2-[2-[tert-butyl(methyl)amino]ethylsulfanyl]ethyl]-N,N'-dimethylethane-1,2-diamine
PubChem CID174334503
Molecular FormulaC22H50N4S2
Molecular Weight434.80 g/mol
Exact Mass434.35
IUPAC NameN,N'-bis[2-[2-[tert-butyl(methyl)amino]ethylsulfanyl]ethyl]-N,N'-dimethylethane-1,2-diamine
SMILESCN(CCSCCN(C)C(C)(C)C)CCN(C)CCSCCN(C)C(C)(C)C
InChIInChI=1S/C22H50N4S2/c1-21(2,3)25(9)15-19-27-17-13-23(7)11-12-24(8)14-18-28-20-16-26(10)22(4,5)6/h11-20H2,1-10H3
InChIKeyORVRLNBRDMAYNO-UHFFFAOYSA-N
XLogP3.78
TPSA12.96 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds15
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500434.80
LogP ≤ 53.78
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

Analyze N,N'-bis[2-[2-[tert-butyl(methyl)amino]ethylsulfanyl]ethyl]-N,N'-dimethylethane-1,2-diamine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of N,N'-bis[2-[2-[tert-butyl(methyl)amino]ethylsulfanyl]ethyl]-N,N'-dimethylethane-1,2-diamine?
The IUPAC name of N,N'-bis[2-[2-[tert-butyl(methyl)amino]ethylsulfanyl]ethyl]-N,N'-dimethylethane-1,2-diamine (CID 174334503) is N,N'-bis[2-[2-[tert-butyl(methyl)amino]ethylsulfanyl]ethyl]-N,N'-dimethylethane-1,2-diamine.
What is the SMILES notation for N,N'-bis[2-[2-[tert-butyl(methyl)amino]ethylsulfanyl]ethyl]-N,N'-dimethylethane-1,2-diamine?
The canonical SMILES for N,N'-bis[2-[2-[tert-butyl(methyl)amino]ethylsulfanyl]ethyl]-N,N'-dimethylethane-1,2-diamine is CN(CCSCCN(C)C(C)(C)C)CCN(C)CCSCCN(C)C(C)(C)C.
What is the InChIKey of N,N'-bis[2-[2-[tert-butyl(methyl)amino]ethylsulfanyl]ethyl]-N,N'-dimethylethane-1,2-diamine?
The InChIKey is ORVRLNBRDMAYNO-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H50N4S2/c1-21(2,3)25(9)15-19-27-17-13-23(7)11-12-24(8)14-18-28-20-16-26(10)22(4,5)6/h11-20H2,1-10H3.
What are the key properties of N,N'-bis[2-[2-[tert-butyl(methyl)amino]ethylsulfanyl]ethyl]-N,N'-dimethylethane-1,2-diamine?
N,N'-bis[2-[2-[tert-butyl(methyl)amino]ethylsulfanyl]ethyl]-N,N'-dimethylethane-1,2-diamine has a molecular weight of 434.80 g/mol, XLogP of 3.78, 15 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N,N'-bis[2-[2-[tert-butyl(methyl)amino]ethylsulfanyl]ethyl]-N,N'-dimethylethane-1,2-diamine is sourced from PubChem (CID 174334503), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).