2-N,2-N-dimethyl-1-N-(1-thiophen-2-ylethyl)butane-1,2-diamine

C12H22N2S — CID 115714105

IUPAC2-N,2-N-dimethyl-1-N-(1-thiophen-2-ylethyl)butane-1,2-diamine
SMILESCCC(CNC(C)c1cccs1)N(C)C
InChIInChI=1S/C12H22N2S/c1-5-11(14(3)4)9-13-10(2)12-7-6-8-15-12/h6-8,10-11,13H,5,9H2,1-4H3
InChIKeyOGSZSKMCWOAZQE-UHFFFAOYSA-N
MW226.39 g/mol
LogP2.74
Rot. Bonds6

About 2-N,2-N-dimethyl-1-N-(1-thiophen-2-ylethyl)butane-1,2-diamine

2-N,2-N-dimethyl-1-N-(1-thiophen-2-ylethyl)butane-1,2-diamine (PubChem CID 115714105) has the molecular formula C12H22N2S and a molecular weight of 226.39 g/mol. Its IUPAC name is 2-N,2-N-dimethyl-1-N-(1-thiophen-2-ylethyl)butane-1,2-diamine.

Molecular Properties

Compound Name2-N,2-N-dimethyl-1-N-(1-thiophen-2-ylethyl)butane-1,2-diamine
PubChem CID115714105
Molecular FormulaC12H22N2S
Molecular Weight226.39 g/mol
Exact Mass226.15
IUPAC Name2-N,2-N-dimethyl-1-N-(1-thiophen-2-ylethyl)butane-1,2-diamine
SMILESCCC(CNC(C)c1cccs1)N(C)C
InChIInChI=1S/C12H22N2S/c1-5-11(14(3)4)9-13-10(2)12-7-6-8-15-12/h6-8,10-11,13H,5,9H2,1-4H3
InChIKeyOGSZSKMCWOAZQE-UHFFFAOYSA-N
XLogP2.74
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500226.39
LogP ≤ 52.74
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-N-[1-(5-chlorothiophen-2-yl)ethyl]-2-N,2-N-dimethylbutane-1,2-diamine
CID 115714106
(2R)-1-[[(1R)-1-thiophen-2-ylethyl]amino]propan-2-ol
CID 93082161
2-methyl-N-[(1R)-1-thiophen-2-ylethyl]pentan-1-amine
CID 81398925
2-N,2-N-dimethyl-1-N-(1-pyridin-4-ylethyl)butane-1,2-diamine
CID 115880420
3-(1-thiophen-2-ylethylamino)propane-1,2-diol
CID 60908559
N-(2-thiophen-2-ylpropyl)butan-2-amine
CID 115722128
2-N,2-N-dimethyl-1-N-[1-(5-methylfuran-2-yl)ethyl]butane-1,2-diamine
CID 115714157
2,2-dimethyl-N-[(1S)-1-thiophen-2-ylethyl]propan-1-amine
CID 81398287
2-(1-thiophen-2-ylethylamino)ethanol
CID 43151185
(1S)-1-thiophen-2-yl-N-(thiophen-2-ylmethyl)ethanamine
CID 28668621
N-[(1R)-1-thiophen-2-ylethyl]heptan-1-amine
CID 81398404
N,N-dimethyl-N'-(2-methyl-1-thiophen-2-ylpropyl)-1-thiophen-2-ylethane-1,2-diamine
CID 43770180

Frequently Asked Questions

What is the IUPAC name of 2-N,2-N-dimethyl-1-N-(1-thiophen-2-ylethyl)butane-1,2-diamine?
The IUPAC name of 2-N,2-N-dimethyl-1-N-(1-thiophen-2-ylethyl)butane-1,2-diamine (CID 115714105) is 2-N,2-N-dimethyl-1-N-(1-thiophen-2-ylethyl)butane-1,2-diamine.
What is the SMILES notation for 2-N,2-N-dimethyl-1-N-(1-thiophen-2-ylethyl)butane-1,2-diamine?
The canonical SMILES for 2-N,2-N-dimethyl-1-N-(1-thiophen-2-ylethyl)butane-1,2-diamine is CCC(CNC(C)c1cccs1)N(C)C.
What is the InChIKey of 2-N,2-N-dimethyl-1-N-(1-thiophen-2-ylethyl)butane-1,2-diamine?
The InChIKey is OGSZSKMCWOAZQE-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H22N2S/c1-5-11(14(3)4)9-13-10(2)12-7-6-8-15-12/h6-8,10-11,13H,5,9H2,1-4H3.
What are the key properties of 2-N,2-N-dimethyl-1-N-(1-thiophen-2-ylethyl)butane-1,2-diamine?
2-N,2-N-dimethyl-1-N-(1-thiophen-2-ylethyl)butane-1,2-diamine has a molecular weight of 226.39 g/mol, XLogP of 2.74, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-N,2-N-dimethyl-1-N-(1-thiophen-2-ylethyl)butane-1,2-diamine is sourced from PubChem (CID 115714105), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).