N,N'-dimethyl-N-[2-(1-methylsulfanylethoxy)ethyl]-N'-propan-2-ylethane-1,2-diamine

C12H28N2OS — CID 170230249

IUPACN,N'-dimethyl-N-[2-(1-methylsulfanylethoxy)ethyl]-N'-propan-2-ylethane-1,2-diamine
SMILESCSC(C)OCCN(C)CCN(C)C(C)C
InChIInChI=1S/C12H28N2OS/c1-11(2)14(5)8-7-13(4)9-10-15-12(3)16-6/h11-12H,7-10H2,1-6H3
InChIKeyVBEQPUKNUDGSDD-UHFFFAOYSA-N
MW248.44 g/mol
LogP1.98
Rot. Bonds9

About N,N'-dimethyl-N-[2-(1-methylsulfanylethoxy)ethyl]-N'-propan-2-ylethane-1,2-diamine

N,N'-dimethyl-N-[2-(1-methylsulfanylethoxy)ethyl]-N'-propan-2-ylethane-1,2-diamine (PubChem CID 170230249) has the molecular formula C12H28N2OS and a molecular weight of 248.44 g/mol. Its IUPAC name is N,N'-dimethyl-N-[2-(1-methylsulfanylethoxy)ethyl]-N'-propan-2-ylethane-1,2-diamine.

Molecular Properties

Compound NameN,N'-dimethyl-N-[2-(1-methylsulfanylethoxy)ethyl]-N'-propan-2-ylethane-1,2-diamine
PubChem CID170230249
Molecular FormulaC12H28N2OS
Molecular Weight248.44 g/mol
Exact Mass248.19
IUPAC NameN,N'-dimethyl-N-[2-(1-methylsulfanylethoxy)ethyl]-N'-propan-2-ylethane-1,2-diamine
SMILESCSC(C)OCCN(C)CCN(C)C(C)C
InChIInChI=1S/C12H28N2OS/c1-11(2)14(5)8-7-13(4)9-10-15-12(3)16-6/h11-12H,7-10H2,1-6H3
InChIKeyVBEQPUKNUDGSDD-UHFFFAOYSA-N
XLogP1.98
TPSA15.71 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500248.44
LogP ≤ 51.98
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}

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Related Compounds

ethane;N-ethyl-N,N'-dimethyl-N'-propan-2-ylethane-1,2-diamine
CID 176935759
1-ethoxy-1-methylsulfanylethane
CID 18710050
N-methyl-N,N',N'-tri(propan-2-yl)ethane-1,2-diamine
CID 58105681
N-[2-[2-[ethyl(methyl)amino]ethoxy]ethyl]-N-methylpropan-2-amine
CID 177053557
N'-butan-2-yl-N-[2-[butan-2-yl(methyl)amino]ethyl]-N,N'-dimethylethane-1,2-diamine
CID 159533219
propane;N,N,N'-trimethyl-N'-propan-2-ylethane-1,2-diamine
CID 143725559
1-N,3-N-dimethyl-3-N-[2-[methyl-[2-(methylamino)ethyl]amino]ethyl]-1-N-propan-2-ylbutane-1,3-diamine
CID 176568903
3-bromo-N-methyl-N-propan-2-ylpropan-1-amine
CID 61287527
(2S)-N-methyl-2-methylsulfanyl-N-propan-2-ylpropan-1-amine
CID 166781330
(2S)-1-[methyl(2-propan-2-yloxyethyl)amino]propan-2-ol
CID 103935283
N-methyl-4-[4-[methyl(propan-2-yl)amino]butoxy]-N-propan-2-ylbutan-1-amine
CID 59059943
N-(2-hydrazinylethyl)-N-methylpropan-2-amine
CID 91618347

Frequently Asked Questions

What is the IUPAC name of N,N'-dimethyl-N-[2-(1-methylsulfanylethoxy)ethyl]-N'-propan-2-ylethane-1,2-diamine?
The IUPAC name of N,N'-dimethyl-N-[2-(1-methylsulfanylethoxy)ethyl]-N'-propan-2-ylethane-1,2-diamine (CID 170230249) is N,N'-dimethyl-N-[2-(1-methylsulfanylethoxy)ethyl]-N'-propan-2-ylethane-1,2-diamine.
What is the SMILES notation for N,N'-dimethyl-N-[2-(1-methylsulfanylethoxy)ethyl]-N'-propan-2-ylethane-1,2-diamine?
The canonical SMILES for N,N'-dimethyl-N-[2-(1-methylsulfanylethoxy)ethyl]-N'-propan-2-ylethane-1,2-diamine is CSC(C)OCCN(C)CCN(C)C(C)C.
What is the InChIKey of N,N'-dimethyl-N-[2-(1-methylsulfanylethoxy)ethyl]-N'-propan-2-ylethane-1,2-diamine?
The InChIKey is VBEQPUKNUDGSDD-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H28N2OS/c1-11(2)14(5)8-7-13(4)9-10-15-12(3)16-6/h11-12H,7-10H2,1-6H3.
What are the key properties of N,N'-dimethyl-N-[2-(1-methylsulfanylethoxy)ethyl]-N'-propan-2-ylethane-1,2-diamine?
N,N'-dimethyl-N-[2-(1-methylsulfanylethoxy)ethyl]-N'-propan-2-ylethane-1,2-diamine has a molecular weight of 248.44 g/mol, XLogP of 1.98, 9 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N,N'-dimethyl-N-[2-(1-methylsulfanylethoxy)ethyl]-N'-propan-2-ylethane-1,2-diamine is sourced from PubChem (CID 170230249), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).