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

C14H22N4OS — CID 62485434

IUPAC2-methyl-N-[[1-[2-(thiophen-2-ylmethoxy)ethyl]triazol-4-yl]methyl]propan-2-amine
SMILESCC(C)(C)NCc1cn(CCOCc2cccs2)nn1
InChIInChI=1S/C14H22N4OS/c1-14(2,3)15-9-12-10-18(17-16-12)6-7-19-11-13-5-4-8-20-13/h4-5,8,10,15H,6-7,9,11H2,1-3H3
InChIKeyPDWUVUGYRYKEKI-UHFFFAOYSA-N
MW294.42 g/mol
LogP2.44
Rot. Bonds7

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

2-methyl-N-[[1-[2-(thiophen-2-ylmethoxy)ethyl]triazol-4-yl]methyl]propan-2-amine (PubChem CID 62485434) has the molecular formula C14H22N4OS and a molecular weight of 294.42 g/mol. Its IUPAC name is 2-methyl-N-[[1-[2-(thiophen-2-ylmethoxy)ethyl]triazol-4-yl]methyl]propan-2-amine.

Molecular Properties

Compound Name2-methyl-N-[[1-[2-(thiophen-2-ylmethoxy)ethyl]triazol-4-yl]methyl]propan-2-amine
PubChem CID62485434
Molecular FormulaC14H22N4OS
Molecular Weight294.42 g/mol
Exact Mass294.15
IUPAC Name2-methyl-N-[[1-[2-(thiophen-2-ylmethoxy)ethyl]triazol-4-yl]methyl]propan-2-amine
SMILESCC(C)(C)NCc1cn(CCOCc2cccs2)nn1
InChIInChI=1S/C14H22N4OS/c1-14(2,3)15-9-12-10-18(17-16-12)6-7-19-11-13-5-4-8-20-13/h4-5,8,10,15H,6-7,9,11H2,1-3H3
InChIKeyPDWUVUGYRYKEKI-UHFFFAOYSA-N
XLogP2.44
TPSA51.97 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500294.42
LogP ≤ 52.44
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

2-methyl-N-[[1-(2-thiophen-2-ylethyl)triazol-4-yl]methyl]propan-2-amine
CID 66194003
2-methyl-N-[[1-[2-[methyl(thiophen-2-ylmethyl)amino]ethyl]triazol-4-yl]methyl]propan-2-amine
CID 62421356
N-[[1-[2-(2,2-difluoroethoxy)ethyl]triazol-4-yl]methyl]-2-methylpropan-2-amine
CID 82005716
2-methyl-N-[[1-(2-thiophen-3-ylethyl)triazol-4-yl]methyl]propan-2-amine
CID 66192264
N-[[1-[2-(cyclohexylmethoxy)ethyl]triazol-4-yl]methyl]-2-methylpropan-2-amine
CID 62485269
2-methyl-N-[[1-[2-(3-methylphenoxy)ethyl]triazol-4-yl]methyl]propan-2-amine
CID 62452374
2-methyl-N-[[1-(3,3,3-trifluoropropyl)triazol-4-yl]methyl]propan-2-amine
CID 66191690
2-methyl-N-[[1-[2-(oxan-2-yloxy)ethyl]triazol-4-yl]methyl]propan-2-amine
CID 66191878
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
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

Frequently Asked Questions

What is the IUPAC name of 2-methyl-N-[[1-[2-(thiophen-2-ylmethoxy)ethyl]triazol-4-yl]methyl]propan-2-amine?
The IUPAC name of 2-methyl-N-[[1-[2-(thiophen-2-ylmethoxy)ethyl]triazol-4-yl]methyl]propan-2-amine (CID 62485434) is 2-methyl-N-[[1-[2-(thiophen-2-ylmethoxy)ethyl]triazol-4-yl]methyl]propan-2-amine.
What is the SMILES notation for 2-methyl-N-[[1-[2-(thiophen-2-ylmethoxy)ethyl]triazol-4-yl]methyl]propan-2-amine?
The canonical SMILES for 2-methyl-N-[[1-[2-(thiophen-2-ylmethoxy)ethyl]triazol-4-yl]methyl]propan-2-amine is CC(C)(C)NCc1cn(CCOCc2cccs2)nn1.
What is the InChIKey of 2-methyl-N-[[1-[2-(thiophen-2-ylmethoxy)ethyl]triazol-4-yl]methyl]propan-2-amine?
The InChIKey is PDWUVUGYRYKEKI-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H22N4OS/c1-14(2,3)15-9-12-10-18(17-16-12)6-7-19-11-13-5-4-8-20-13/h4-5,8,10,15H,6-7,9,11H2,1-3H3.
What are the key properties of 2-methyl-N-[[1-[2-(thiophen-2-ylmethoxy)ethyl]triazol-4-yl]methyl]propan-2-amine?
2-methyl-N-[[1-[2-(thiophen-2-ylmethoxy)ethyl]triazol-4-yl]methyl]propan-2-amine has a molecular weight of 294.42 g/mol, XLogP of 2.44, 7 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-N-[[1-[2-(thiophen-2-ylmethoxy)ethyl]triazol-4-yl]methyl]propan-2-amine is sourced from PubChem (CID 62485434), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).