1-N,2-N,2-N,2-tetramethyl-1-(5-methylthiophen-2-yl)propane-1,2-diamine

C12H22N2S — CID 79053612

IUPAC1-N,2-N,2-N,2-tetramethyl-1-(5-methylthiophen-2-yl)propane-1,2-diamine
SMILESCNC(c1ccc(C)s1)C(C)(C)N(C)C
InChIInChI=1S/C12H22N2S/c1-9-7-8-10(15-9)11(13-4)12(2,3)14(5)6/h7-8,11,13H,1-6H3
InChIKeyLUMZGUKHCQDOPL-UHFFFAOYSA-N
MW226.39 g/mol
LogP2.66
Rot. Bonds4

About 1-N,2-N,2-N,2-tetramethyl-1-(5-methylthiophen-2-yl)propane-1,2-diamine

1-N,2-N,2-N,2-tetramethyl-1-(5-methylthiophen-2-yl)propane-1,2-diamine (PubChem CID 79053612) has the molecular formula C12H22N2S and a molecular weight of 226.39 g/mol. Its IUPAC name is 1-N,2-N,2-N,2-tetramethyl-1-(5-methylthiophen-2-yl)propane-1,2-diamine.

Molecular Properties

Compound Name1-N,2-N,2-N,2-tetramethyl-1-(5-methylthiophen-2-yl)propane-1,2-diamine
PubChem CID79053612
Molecular FormulaC12H22N2S
Molecular Weight226.39 g/mol
Exact Mass226.15
IUPAC Name1-N,2-N,2-N,2-tetramethyl-1-(5-methylthiophen-2-yl)propane-1,2-diamine
SMILESCNC(c1ccc(C)s1)C(C)(C)N(C)C
InChIInChI=1S/C12H22N2S/c1-9-7-8-10(15-9)11(13-4)12(2,3)14(5)6/h7-8,11,13H,1-6H3
InChIKeyLUMZGUKHCQDOPL-UHFFFAOYSA-N
XLogP2.66
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500226.39
LogP ≤ 52.66
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-N,2-N,2-N,2-tetramethyl-1-phenylpropane-1,2-diamine
CID 79053709
2-N,2-N,2-trimethyl-1-(5-methylthiophen-2-yl)-1-N-propylbutane-1,2-diamine
CID 79062925
N,N-diethyl-1-hydrazinyl-2-methyl-1-(5-methylthiophen-2-yl)propan-2-amine
CID 105239251
3-[hydrazinyl-(5-methylthiophen-2-yl)methyl]-N,N-dimethylpentan-3-amine
CID 105241697
1-(4-tert-butylphenyl)-1-N,2-N,2-N,2-tetramethylpropane-1,2-diamine
CID 79052895
[2,2-difluoro-1-(5-methylthiophen-2-yl)propyl]hydrazine
CID 130691531
N,2-dimethyl-1-(5-methylthiophen-2-yl)propan-1-amine
CID 43480389
2-ethyl-2-N,2-N-dimethyl-1-(5-methylthiophen-2-yl)butane-1,2-diamine
CID 79062272
1-fluoro-N,2-dimethyl-1-(5-methylthiophen-2-yl)propan-2-amine
CID 130589701
N,N-dimethyl-1-[methylamino-(5-methylthiophen-2-yl)methyl]cyclohexan-1-amine
CID 79066072
1,1-dimethyl-2-[1-(5-methylthiophen-2-yl)ethyl]hydrazine
CID 83002998
1-(2-fluoro-5-methylphenyl)-1-N,2-N,2-N,2-tetramethylpropane-1,2-diamine
CID 79053713

Frequently Asked Questions

What is the IUPAC name of 1-N,2-N,2-N,2-tetramethyl-1-(5-methylthiophen-2-yl)propane-1,2-diamine?
The IUPAC name of 1-N,2-N,2-N,2-tetramethyl-1-(5-methylthiophen-2-yl)propane-1,2-diamine (CID 79053612) is 1-N,2-N,2-N,2-tetramethyl-1-(5-methylthiophen-2-yl)propane-1,2-diamine.
What is the SMILES notation for 1-N,2-N,2-N,2-tetramethyl-1-(5-methylthiophen-2-yl)propane-1,2-diamine?
The canonical SMILES for 1-N,2-N,2-N,2-tetramethyl-1-(5-methylthiophen-2-yl)propane-1,2-diamine is CNC(c1ccc(C)s1)C(C)(C)N(C)C.
What is the InChIKey of 1-N,2-N,2-N,2-tetramethyl-1-(5-methylthiophen-2-yl)propane-1,2-diamine?
The InChIKey is LUMZGUKHCQDOPL-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H22N2S/c1-9-7-8-10(15-9)11(13-4)12(2,3)14(5)6/h7-8,11,13H,1-6H3.
What are the key properties of 1-N,2-N,2-N,2-tetramethyl-1-(5-methylthiophen-2-yl)propane-1,2-diamine?
1-N,2-N,2-N,2-tetramethyl-1-(5-methylthiophen-2-yl)propane-1,2-diamine has a molecular weight of 226.39 g/mol, XLogP of 2.66, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-N,2-N,2-N,2-tetramethyl-1-(5-methylthiophen-2-yl)propane-1,2-diamine is sourced from PubChem (CID 79053612), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).