2-N-methyl-2-N-(1-thiophen-2-ylpropan-2-yl)pentane-1,2-diamine

C13H24N2S — CID 79476562

IUPAC2-N-methyl-2-N-(1-thiophen-2-ylpropan-2-yl)pentane-1,2-diamine
SMILESCCCC(CN)N(C)C(C)Cc1cccs1
InChIInChI=1S/C13H24N2S/c1-4-6-12(10-14)15(3)11(2)9-13-7-5-8-16-13/h5,7-8,11-12H,4,6,9-10,14H2,1-3H3
InChIKeyGEEMBMURTLSZOM-UHFFFAOYSA-N
MW240.42 g/mol
LogP2.74
Rot. Bonds7

About 2-N-methyl-2-N-(1-thiophen-2-ylpropan-2-yl)pentane-1,2-diamine

2-N-methyl-2-N-(1-thiophen-2-ylpropan-2-yl)pentane-1,2-diamine (PubChem CID 79476562) has the molecular formula C13H24N2S and a molecular weight of 240.42 g/mol. Its IUPAC name is 2-N-methyl-2-N-(1-thiophen-2-ylpropan-2-yl)pentane-1,2-diamine.

Molecular Properties

Compound Name2-N-methyl-2-N-(1-thiophen-2-ylpropan-2-yl)pentane-1,2-diamine
PubChem CID79476562
Molecular FormulaC13H24N2S
Molecular Weight240.42 g/mol
Exact Mass240.17
IUPAC Name2-N-methyl-2-N-(1-thiophen-2-ylpropan-2-yl)pentane-1,2-diamine
SMILESCCCC(CN)N(C)C(C)Cc1cccs1
InChIInChI=1S/C13H24N2S/c1-4-6-12(10-14)15(3)11(2)9-13-7-5-8-16-13/h5,7-8,11-12H,4,6,9-10,14H2,1-3H3
InChIKeyGEEMBMURTLSZOM-UHFFFAOYSA-N
XLogP2.74
TPSA29.26 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500240.42
LogP ≤ 52.74
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-N,2-N-dimethyl-2-N-(1-thiophen-2-ylpropan-2-yl)pentane-1,2-diamine
CID 83054060
4-methoxy-2-N,4-dimethyl-2-N-(1-thiophen-2-ylpropan-2-yl)pentane-1,2-diamine
CID 106675761
3,3,3-trifluoro-2-N-methyl-2-N-(1-thiophen-2-ylpropan-2-yl)propane-1,2-diamine
CID 79475884
3-N-methyl-1-N-propyl-3-N-(1-thiophen-2-ylpropan-2-yl)butane-1,3-diamine
CID 79493690
1-(2,4-dimethylphenyl)-N-methyl-N-(1-thiophen-2-ylpropan-2-yl)ethane-1,2-diamine
CID 79472208
N'-methyl-N'-(1-thiophen-2-ylpropan-2-yl)ethane-1,2-diamine
CID 79470909
2-N-methyl-2-N-pentan-2-yl-1-N-(thiophen-2-ylmethyl)propane-1,2-diamine
CID 55087404
N-methyl-1-pyridin-2-yl-N-(1-thiophen-2-ylpropan-2-yl)ethane-1,2-diamine
CID 79475879
N-methyl-1-(oxan-4-yl)-N-(1-thiophen-2-ylpropan-2-yl)ethane-1,2-diamine
CID 79476272
3-methyl-1-thiophen-2-ylhexan-2-amine
CID 61078853
methyl 2-[methyl(1-thiophen-2-ylpropan-2-yl)amino]hexanoate
CID 113373650
2-N,3-dimethyl-2-N-(2-thiophen-2-ylethyl)hexane-1,2-diamine
CID 79476641

Frequently Asked Questions

What is the IUPAC name of 2-N-methyl-2-N-(1-thiophen-2-ylpropan-2-yl)pentane-1,2-diamine?
The IUPAC name of 2-N-methyl-2-N-(1-thiophen-2-ylpropan-2-yl)pentane-1,2-diamine (CID 79476562) is 2-N-methyl-2-N-(1-thiophen-2-ylpropan-2-yl)pentane-1,2-diamine.
What is the SMILES notation for 2-N-methyl-2-N-(1-thiophen-2-ylpropan-2-yl)pentane-1,2-diamine?
The canonical SMILES for 2-N-methyl-2-N-(1-thiophen-2-ylpropan-2-yl)pentane-1,2-diamine is CCCC(CN)N(C)C(C)Cc1cccs1.
What is the InChIKey of 2-N-methyl-2-N-(1-thiophen-2-ylpropan-2-yl)pentane-1,2-diamine?
The InChIKey is GEEMBMURTLSZOM-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H24N2S/c1-4-6-12(10-14)15(3)11(2)9-13-7-5-8-16-13/h5,7-8,11-12H,4,6,9-10,14H2,1-3H3.
What are the key properties of 2-N-methyl-2-N-(1-thiophen-2-ylpropan-2-yl)pentane-1,2-diamine?
2-N-methyl-2-N-(1-thiophen-2-ylpropan-2-yl)pentane-1,2-diamine has a molecular weight of 240.42 g/mol, XLogP of 2.74, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-N-methyl-2-N-(1-thiophen-2-ylpropan-2-yl)pentane-1,2-diamine is sourced from PubChem (CID 79476562), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).