2-methyl-N-[[1-(2-thiophen-2-ylethyl)triazol-4-yl]methyl]propan-2-amine

C13H20N4S — CID 66194003

IUPAC2-methyl-N-[[1-(2-thiophen-2-ylethyl)triazol-4-yl]methyl]propan-2-amine
SMILESCC(C)(C)NCc1cn(CCc2cccs2)nn1
InChIInChI=1S/C13H20N4S/c1-13(2,3)14-9-11-10-17(16-15-11)7-6-12-5-4-8-18-12/h4-5,8,10,14H,6-7,9H2,1-3H3
InChIKeyQFOUKUHRYYFTKN-UHFFFAOYSA-N
MW264.40 g/mol
LogP2.47
Rot. Bonds5

About 2-methyl-N-[[1-(2-thiophen-2-ylethyl)triazol-4-yl]methyl]propan-2-amine

2-methyl-N-[[1-(2-thiophen-2-ylethyl)triazol-4-yl]methyl]propan-2-amine (PubChem CID 66194003) has the molecular formula C13H20N4S and a molecular weight of 264.40 g/mol. Its IUPAC name is 2-methyl-N-[[1-(2-thiophen-2-ylethyl)triazol-4-yl]methyl]propan-2-amine.

Molecular Properties

Compound Name2-methyl-N-[[1-(2-thiophen-2-ylethyl)triazol-4-yl]methyl]propan-2-amine
PubChem CID66194003
Molecular FormulaC13H20N4S
Molecular Weight264.40 g/mol
Exact Mass264.14
IUPAC Name2-methyl-N-[[1-(2-thiophen-2-ylethyl)triazol-4-yl]methyl]propan-2-amine
SMILESCC(C)(C)NCc1cn(CCc2cccs2)nn1
InChIInChI=1S/C13H20N4S/c1-13(2,3)14-9-11-10-17(16-15-11)7-6-12-5-4-8-18-12/h4-5,8,10,14H,6-7,9H2,1-3H3
InChIKeyQFOUKUHRYYFTKN-UHFFFAOYSA-N
XLogP2.47
TPSA42.74 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500264.40
LogP ≤ 52.47
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

2-methyl-N-[[1-[2-[methyl(thiophen-2-ylmethyl)amino]ethyl]triazol-4-yl]methyl]propan-2-amine
CID 62421356
2-methyl-N-[[1-[2-(thiophen-2-ylmethoxy)ethyl]triazol-4-yl]methyl]propan-2-amine
CID 62485434
2-methyl-N-[[1-(2-thiophen-3-ylethyl)triazol-4-yl]methyl]propan-2-amine
CID 66192264
2-methyl-N-[[1-(3,3,3-trifluoropropyl)triazol-4-yl]methyl]propan-2-amine
CID 66191690
2-methyl-N-[[3-(2-thiophen-2-ylethyl)imidazol-4-yl]methyl]propan-2-amine
CID 66147964
2-methyl-N-[(1-octyltriazol-4-yl)methyl]propan-2-amine
CID 66191679
2-methyl-N-[[1-(3-methylsulfonylpropyl)triazol-4-yl]methyl]propan-2-amine
CID 66194438
4-(1-bromoethyl)-1-(2-thiophen-2-ylethyl)triazole
CID 81449258
N-[[1-[2-(2,6-dimethylmorpholin-4-yl)ethyl]triazol-4-yl]methyl]-2-methylpropan-2-amine
CID 62438334
6-[4-[(tert-butylamino)methyl]triazol-1-yl]hexan-1-ol
CID 107707372
N-[[1-[3-(dimethylamino)propyl]triazol-4-yl]methyl]-2-methylpropan-2-amine
CID 114526861
2-methyl-N-[[1-(1,3-thiazol-5-ylmethyl)triazol-4-yl]methyl]propan-2-amine
CID 112645383

Frequently Asked Questions

What is the IUPAC name of 2-methyl-N-[[1-(2-thiophen-2-ylethyl)triazol-4-yl]methyl]propan-2-amine?
The IUPAC name of 2-methyl-N-[[1-(2-thiophen-2-ylethyl)triazol-4-yl]methyl]propan-2-amine (CID 66194003) is 2-methyl-N-[[1-(2-thiophen-2-ylethyl)triazol-4-yl]methyl]propan-2-amine.
What is the SMILES notation for 2-methyl-N-[[1-(2-thiophen-2-ylethyl)triazol-4-yl]methyl]propan-2-amine?
The canonical SMILES for 2-methyl-N-[[1-(2-thiophen-2-ylethyl)triazol-4-yl]methyl]propan-2-amine is CC(C)(C)NCc1cn(CCc2cccs2)nn1.
What is the InChIKey of 2-methyl-N-[[1-(2-thiophen-2-ylethyl)triazol-4-yl]methyl]propan-2-amine?
The InChIKey is QFOUKUHRYYFTKN-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H20N4S/c1-13(2,3)14-9-11-10-17(16-15-11)7-6-12-5-4-8-18-12/h4-5,8,10,14H,6-7,9H2,1-3H3.
What are the key properties of 2-methyl-N-[[1-(2-thiophen-2-ylethyl)triazol-4-yl]methyl]propan-2-amine?
2-methyl-N-[[1-(2-thiophen-2-ylethyl)triazol-4-yl]methyl]propan-2-amine has a molecular weight of 264.40 g/mol, XLogP of 2.47, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-N-[[1-(2-thiophen-2-ylethyl)triazol-4-yl]methyl]propan-2-amine is sourced from PubChem (CID 66194003), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).