N',N'-dimethyl-N-[2-(3-methylbutan-2-ylsulfanyl)ethyl]ethane-1,2-diamine

C11H26N2S — CID 107757315

IUPACN',N'-dimethyl-N-[2-(3-methylbutan-2-ylsulfanyl)ethyl]ethane-1,2-diamine
SMILESCC(C)C(C)SCCNCCN(C)C
InChIInChI=1S/C11H26N2S/c1-10(2)11(3)14-9-7-12-6-8-13(4)5/h10-12H,6-9H2,1-5H3
InChIKeyNSNFUVIWDHRFFG-UHFFFAOYSA-N
MW218.41 g/mol
LogP1.92
Rot. Bonds8

About N',N'-dimethyl-N-[2-(3-methylbutan-2-ylsulfanyl)ethyl]ethane-1,2-diamine

N',N'-dimethyl-N-[2-(3-methylbutan-2-ylsulfanyl)ethyl]ethane-1,2-diamine (PubChem CID 107757315) has the molecular formula C11H26N2S and a molecular weight of 218.41 g/mol. Its IUPAC name is N',N'-dimethyl-N-[2-(3-methylbutan-2-ylsulfanyl)ethyl]ethane-1,2-diamine.

Molecular Properties

Compound NameN',N'-dimethyl-N-[2-(3-methylbutan-2-ylsulfanyl)ethyl]ethane-1,2-diamine
PubChem CID107757315
Molecular FormulaC11H26N2S
Molecular Weight218.41 g/mol
Exact Mass218.18
IUPAC NameN',N'-dimethyl-N-[2-(3-methylbutan-2-ylsulfanyl)ethyl]ethane-1,2-diamine
SMILESCC(C)C(C)SCCNCCN(C)C
InChIInChI=1S/C11H26N2S/c1-10(2)11(3)14-9-7-12-6-8-13(4)5/h10-12H,6-9H2,1-5H3
InChIKeyNSNFUVIWDHRFFG-UHFFFAOYSA-N
XLogP1.92
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500218.41
LogP ≤ 51.92
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze N',N'-dimethyl-N-[2-(3-methylbutan-2-ylsulfanyl)ethyl]ethane-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

Related Compounds

2-butoxy-N-[2-(3-methylbutan-2-ylsulfanyl)ethyl]ethanamine
CID 107757262
4-ethoxy-N-[2-(3-methylbutan-2-ylsulfanyl)ethyl]butan-1-amine
CID 107757302
3-methyl-N-[2-(3-methylbutan-2-ylsulfanyl)ethyl]butan-2-amine
CID 107757318
N',N'-dimethyl-N-(2-methylpropyl)ethane-1,2-diamine
CID 16772870
N-butyl-N',N'-dimethylethane-1,2-diamine
CID 16781457
N',N'-dimethyl-N-(2-propan-2-ylsulfonylethyl)ethane-1,2-diamine
CID 106513174
N',N'-dimethyl-N-[2-(2-methylpentoxy)ethyl]ethane-1,2-diamine
CID 103285767
N',N'-dimethyl-N-[2-[methyl(2-methylsulfanylethyl)amino]ethyl]ethane-1,2-diamine
CID 112666040
N',N'-dimethyl-N-propylethane-1,2-diamine;ethane
CID 134080811
N',N'-dimethyl-N-tetradecylethane-1,2-diamine
CID 15792996
4-(3-methylbutan-2-ylsulfanyl)-N-propylbutan-2-amine
CID 107763350
N',N'-dimethyl-N-[2-[methyl(pentan-3-yl)amino]ethyl]ethane-1,2-diamine
CID 62559325

Frequently Asked Questions

What is the IUPAC name of N',N'-dimethyl-N-[2-(3-methylbutan-2-ylsulfanyl)ethyl]ethane-1,2-diamine?
The IUPAC name of N',N'-dimethyl-N-[2-(3-methylbutan-2-ylsulfanyl)ethyl]ethane-1,2-diamine (CID 107757315) is N',N'-dimethyl-N-[2-(3-methylbutan-2-ylsulfanyl)ethyl]ethane-1,2-diamine.
What is the SMILES notation for N',N'-dimethyl-N-[2-(3-methylbutan-2-ylsulfanyl)ethyl]ethane-1,2-diamine?
The canonical SMILES for N',N'-dimethyl-N-[2-(3-methylbutan-2-ylsulfanyl)ethyl]ethane-1,2-diamine is CC(C)C(C)SCCNCCN(C)C.
What is the InChIKey of N',N'-dimethyl-N-[2-(3-methylbutan-2-ylsulfanyl)ethyl]ethane-1,2-diamine?
The InChIKey is NSNFUVIWDHRFFG-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H26N2S/c1-10(2)11(3)14-9-7-12-6-8-13(4)5/h10-12H,6-9H2,1-5H3.
What are the key properties of N',N'-dimethyl-N-[2-(3-methylbutan-2-ylsulfanyl)ethyl]ethane-1,2-diamine?
N',N'-dimethyl-N-[2-(3-methylbutan-2-ylsulfanyl)ethyl]ethane-1,2-diamine has a molecular weight of 218.41 g/mol, XLogP of 1.92, 8 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N',N'-dimethyl-N-[2-(3-methylbutan-2-ylsulfanyl)ethyl]ethane-1,2-diamine is sourced from PubChem (CID 107757315), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).