N-(2-methoxyethyl)-1-[1-(2-thiophen-3-ylethyl)tetrazol-5-yl]ethanamine

C12H19N5OS — CID 103085887

IUPACN-(2-methoxyethyl)-1-[1-(2-thiophen-3-ylethyl)tetrazol-5-yl]ethanamine
SMILESCOCCNC(C)c1nnnn1CCc1ccsc1
InChIInChI=1S/C12H19N5OS/c1-10(13-5-7-18-2)12-14-15-16-17(12)6-3-11-4-8-19-9-11/h4,8-10,13H,3,5-7H2,1-2H3
InChIKeyWAHYKJJEONFRKJ-UHFFFAOYSA-N
MW281.38 g/mol
LogP1.27
Rot. Bonds8

About N-(2-methoxyethyl)-1-[1-(2-thiophen-3-ylethyl)tetrazol-5-yl]ethanamine

N-(2-methoxyethyl)-1-[1-(2-thiophen-3-ylethyl)tetrazol-5-yl]ethanamine (PubChem CID 103085887) has the molecular formula C12H19N5OS and a molecular weight of 281.38 g/mol. Its IUPAC name is N-(2-methoxyethyl)-1-[1-(2-thiophen-3-ylethyl)tetrazol-5-yl]ethanamine.

Molecular Properties

Compound NameN-(2-methoxyethyl)-1-[1-(2-thiophen-3-ylethyl)tetrazol-5-yl]ethanamine
PubChem CID103085887
Molecular FormulaC12H19N5OS
Molecular Weight281.38 g/mol
Exact Mass281.13
IUPAC NameN-(2-methoxyethyl)-1-[1-(2-thiophen-3-ylethyl)tetrazol-5-yl]ethanamine
SMILESCOCCNC(C)c1nnnn1CCc1ccsc1
InChIInChI=1S/C12H19N5OS/c1-10(13-5-7-18-2)12-14-15-16-17(12)6-3-11-4-8-19-9-11/h4,8-10,13H,3,5-7H2,1-2H3
InChIKeyWAHYKJJEONFRKJ-UHFFFAOYSA-N
XLogP1.27
TPSA64.86 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds8
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500281.38
LogP ≤ 51.27
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

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

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Related Compounds

N-(2-methoxyethyl)-1-[1-(3-phenylpropyl)tetrazol-5-yl]ethanamine
CID 103085538
1-[1-[2-(5-chlorothiophen-2-yl)ethyl]tetrazol-5-yl]-N-(2-methoxyethyl)ethanamine
CID 106043176
1-(1-ethyltetrazol-5-yl)-N-(2-methoxyethyl)ethanamine
CID 103085409
N-ethyl-1-[1-(thiophen-3-ylmethyl)tetrazol-5-yl]ethanamine
CID 103086139
N-ethyl-1-[1-(2-phenylethyl)tetrazol-5-yl]ethanamine
CID 103085404
N-(2-methoxyethyl)-1-thiophen-3-ylethanamine
CID 53274740
1-[1-[2-(4-chlorophenyl)ethyl]tetrazol-5-yl]-N-ethylethanamine
CID 103085817
N-(2-methoxyethyl)-1-[1-(2,2,3,3-tetramethylcyclopropyl)tetrazol-5-yl]ethanamine
CID 103086509
N-(2-methoxyethyl)-1-[1-[2-(3-methylcyclohexyl)ethyl]tetrazol-5-yl]ethanamine
CID 103086270
N-(2-methoxyethyl)-1-[1-(2-methyl-2-methylsulfonylpropyl)tetrazol-5-yl]ethanamine
CID 103086514
2-methyl-N-[1-[1-[2-(2-methylphenyl)ethyl]tetrazol-5-yl]ethyl]propan-1-amine
CID 103086517
N-[1-(1-propyltetrazol-5-yl)ethyl]propan-1-amine
CID 103085432

Frequently Asked Questions

What is the IUPAC name of N-(2-methoxyethyl)-1-[1-(2-thiophen-3-ylethyl)tetrazol-5-yl]ethanamine?
The IUPAC name of N-(2-methoxyethyl)-1-[1-(2-thiophen-3-ylethyl)tetrazol-5-yl]ethanamine (CID 103085887) is N-(2-methoxyethyl)-1-[1-(2-thiophen-3-ylethyl)tetrazol-5-yl]ethanamine.
What is the SMILES notation for N-(2-methoxyethyl)-1-[1-(2-thiophen-3-ylethyl)tetrazol-5-yl]ethanamine?
The canonical SMILES for N-(2-methoxyethyl)-1-[1-(2-thiophen-3-ylethyl)tetrazol-5-yl]ethanamine is COCCNC(C)c1nnnn1CCc1ccsc1.
What is the InChIKey of N-(2-methoxyethyl)-1-[1-(2-thiophen-3-ylethyl)tetrazol-5-yl]ethanamine?
The InChIKey is WAHYKJJEONFRKJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H19N5OS/c1-10(13-5-7-18-2)12-14-15-16-17(12)6-3-11-4-8-19-9-11/h4,8-10,13H,3,5-7H2,1-2H3.
What are the key properties of N-(2-methoxyethyl)-1-[1-(2-thiophen-3-ylethyl)tetrazol-5-yl]ethanamine?
N-(2-methoxyethyl)-1-[1-(2-thiophen-3-ylethyl)tetrazol-5-yl]ethanamine has a molecular weight of 281.38 g/mol, XLogP of 1.27, 8 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-methoxyethyl)-1-[1-(2-thiophen-3-ylethyl)tetrazol-5-yl]ethanamine is sourced from PubChem (CID 103085887), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).