N'-ethyl-N'-(2-methylbutyl)-N-(2-methylsulfonylethyl)ethane-1,2-diamine

C12H28N2O2S — CID 79482047

IUPACN'-ethyl-N'-(2-methylbutyl)-N-(2-methylsulfonylethyl)ethane-1,2-diamine
SMILESCCC(C)CN(CC)CCNCCS(C)(=O)=O
InChIInChI=1S/C12H28N2O2S/c1-5-12(3)11-14(6-2)9-7-13-8-10-17(4,15)16/h12-13H,5-11H2,1-4H3
InChIKeyFLUITKZAIXXPON-UHFFFAOYSA-N
MW264.43 g/mol
LogP0.99
Rot. Bonds10

About N'-ethyl-N'-(2-methylbutyl)-N-(2-methylsulfonylethyl)ethane-1,2-diamine

N'-ethyl-N'-(2-methylbutyl)-N-(2-methylsulfonylethyl)ethane-1,2-diamine (PubChem CID 79482047) has the molecular formula C12H28N2O2S and a molecular weight of 264.43 g/mol. Its IUPAC name is N'-ethyl-N'-(2-methylbutyl)-N-(2-methylsulfonylethyl)ethane-1,2-diamine.

Molecular Properties

Compound NameN'-ethyl-N'-(2-methylbutyl)-N-(2-methylsulfonylethyl)ethane-1,2-diamine
PubChem CID79482047
Molecular FormulaC12H28N2O2S
Molecular Weight264.43 g/mol
Exact Mass264.19
IUPAC NameN'-ethyl-N'-(2-methylbutyl)-N-(2-methylsulfonylethyl)ethane-1,2-diamine
SMILESCCC(C)CN(CC)CCNCCS(C)(=O)=O
InChIInChI=1S/C12H28N2O2S/c1-5-12(3)11-14(6-2)9-7-13-8-10-17(4,15)16/h12-13H,5-11H2,1-4H3
InChIKeyFLUITKZAIXXPON-UHFFFAOYSA-N
XLogP0.99
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds10
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500264.43
LogP ≤ 50.99
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

N-(2-methylsulfonylethyl)-N',N'-dipropylethane-1,2-diamine
CID 62574298
N'-ethyl-N-(2-methoxyethyl)-N'-(2-methylbutyl)ethane-1,2-diamine
CID 79482433
N'-ethyl-N-(2-methylsulfonylethyl)-N'-(2,2,2-trifluoroethyl)ethane-1,2-diamine
CID 55089721
N'-ethyl-N'-(2-methoxyethyl)-N-(2-methylsulfonylethyl)ethane-1,2-diamine
CID 62554317
N'-ethyl-N-(3-methoxypropyl)-N'-(2-methylbutyl)ethane-1,2-diamine
CID 79482603
N-[2-(diethylamino)ethyl]-N'-methyl-N'-(2-methylsulfonylethyl)ethane-1,2-diamine
CID 79859242
N'-ethyl-2-methyl-N'-(3-methylsulfonylpropyl)propane-1,3-diamine
CID 63190975
N'-ethyl-N'-(2-methylpropyl)-N-propylethane-1,2-diamine
CID 61386594
2-[ethyl(2-methylbutyl)amino]ethanol
CID 62105905
N-ethyl-3-methyl-N-(2-methylsulfonylethyl)butan-1-amine
CID 59762109
N'-ethyl-N'-(2-methylbutyl)-N-(2-methylpropyl)hexane-1,6-diamine
CID 79482264
N-(2-iodoethyl)-2-methylsulfonylethanamine
CID 114505554

Frequently Asked Questions

What is the IUPAC name of N'-ethyl-N'-(2-methylbutyl)-N-(2-methylsulfonylethyl)ethane-1,2-diamine?
The IUPAC name of N'-ethyl-N'-(2-methylbutyl)-N-(2-methylsulfonylethyl)ethane-1,2-diamine (CID 79482047) is N'-ethyl-N'-(2-methylbutyl)-N-(2-methylsulfonylethyl)ethane-1,2-diamine.
What is the SMILES notation for N'-ethyl-N'-(2-methylbutyl)-N-(2-methylsulfonylethyl)ethane-1,2-diamine?
The canonical SMILES for N'-ethyl-N'-(2-methylbutyl)-N-(2-methylsulfonylethyl)ethane-1,2-diamine is CCC(C)CN(CC)CCNCCS(C)(=O)=O.
What is the InChIKey of N'-ethyl-N'-(2-methylbutyl)-N-(2-methylsulfonylethyl)ethane-1,2-diamine?
The InChIKey is FLUITKZAIXXPON-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H28N2O2S/c1-5-12(3)11-14(6-2)9-7-13-8-10-17(4,15)16/h12-13H,5-11H2,1-4H3.
What are the key properties of N'-ethyl-N'-(2-methylbutyl)-N-(2-methylsulfonylethyl)ethane-1,2-diamine?
N'-ethyl-N'-(2-methylbutyl)-N-(2-methylsulfonylethyl)ethane-1,2-diamine has a molecular weight of 264.43 g/mol, XLogP of 0.99, 10 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N'-ethyl-N'-(2-methylbutyl)-N-(2-methylsulfonylethyl)ethane-1,2-diamine is sourced from PubChem (CID 79482047), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).