N-ethyl-1-[1-(2-methyl-1-thiophen-2-ylpropyl)tetrazol-5-yl]ethanamine

C13H21N5S — CID 103085799

IUPACN-ethyl-1-[1-(2-methyl-1-thiophen-2-ylpropyl)tetrazol-5-yl]ethanamine
SMILESCCNC(C)c1nnnn1C(c1cccs1)C(C)C
InChIInChI=1S/C13H21N5S/c1-5-14-10(4)13-15-16-17-18(13)12(9(2)3)11-7-6-8-19-11/h6-10,12,14H,5H2,1-4H3
InChIKeyJCZHDXAJPMNLGM-UHFFFAOYSA-N
MW279.41 g/mol
LogP2.65
Rot. Bonds6

About N-ethyl-1-[1-(2-methyl-1-thiophen-2-ylpropyl)tetrazol-5-yl]ethanamine

N-ethyl-1-[1-(2-methyl-1-thiophen-2-ylpropyl)tetrazol-5-yl]ethanamine (PubChem CID 103085799) has the molecular formula C13H21N5S and a molecular weight of 279.41 g/mol. Its IUPAC name is N-ethyl-1-[1-(2-methyl-1-thiophen-2-ylpropyl)tetrazol-5-yl]ethanamine.

Molecular Properties

Compound NameN-ethyl-1-[1-(2-methyl-1-thiophen-2-ylpropyl)tetrazol-5-yl]ethanamine
PubChem CID103085799
Molecular FormulaC13H21N5S
Molecular Weight279.41 g/mol
Exact Mass279.15
IUPAC NameN-ethyl-1-[1-(2-methyl-1-thiophen-2-ylpropyl)tetrazol-5-yl]ethanamine
SMILESCCNC(C)c1nnnn1C(c1cccs1)C(C)C
InChIInChI=1S/C13H21N5S/c1-5-14-10(4)13-15-16-17-18(13)12(9(2)3)11-7-6-8-19-11/h6-10,12,14H,5H2,1-4H3
InChIKeyJCZHDXAJPMNLGM-UHFFFAOYSA-N
XLogP2.65
TPSA55.63 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500279.41
LogP ≤ 52.65
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

N-[[1-(2-methyl-1-thiophen-2-ylpropyl)tetrazol-5-yl]methyl]propan-2-amine
CID 62762055
2-methyl-N-[1-[1-(1-thiophen-2-ylbutyl)tetrazol-5-yl]ethyl]propan-1-amine
CID 103085714
N-ethyl-1-[1-(1-methoxy-3-methylbutan-2-yl)tetrazol-5-yl]ethanamine
CID 103086393
N-ethyl-1-(1-hexan-3-yltetrazol-5-yl)ethanamine
CID 103085598
N-ethyl-1-(1-heptan-2-yltetrazol-5-yl)ethanamine
CID 103085937
1-[1-[1-(2,4-dichlorophenyl)ethyl]tetrazol-5-yl]-N-ethylethanamine
CID 103085373
N-[1-[1-(1-phenylpropyl)tetrazol-5-yl]ethyl]propan-1-amine
CID 103085558
N-ethyl-1-[1-(thiophen-3-ylmethyl)tetrazol-5-yl]ethanamine
CID 103086139
N-[1-[1-(1-phenylethyl)tetrazol-5-yl]ethyl]propan-1-amine
CID 103085388
N-ethyl-1-(5-thiophen-2-yl-1,3,4-oxadiazol-2-yl)ethanamine
CID 60661957
N-ethyl-1-[1-(2-phenylethyl)tetrazol-5-yl]ethanamine
CID 103085404
N-[[1-(1-thiophen-2-ylpropan-2-yl)tetrazol-5-yl]methyl]ethanamine
CID 63292400

Frequently Asked Questions

What is the IUPAC name of N-ethyl-1-[1-(2-methyl-1-thiophen-2-ylpropyl)tetrazol-5-yl]ethanamine?
The IUPAC name of N-ethyl-1-[1-(2-methyl-1-thiophen-2-ylpropyl)tetrazol-5-yl]ethanamine (CID 103085799) is N-ethyl-1-[1-(2-methyl-1-thiophen-2-ylpropyl)tetrazol-5-yl]ethanamine.
What is the SMILES notation for N-ethyl-1-[1-(2-methyl-1-thiophen-2-ylpropyl)tetrazol-5-yl]ethanamine?
The canonical SMILES for N-ethyl-1-[1-(2-methyl-1-thiophen-2-ylpropyl)tetrazol-5-yl]ethanamine is CCNC(C)c1nnnn1C(c1cccs1)C(C)C.
What is the InChIKey of N-ethyl-1-[1-(2-methyl-1-thiophen-2-ylpropyl)tetrazol-5-yl]ethanamine?
The InChIKey is JCZHDXAJPMNLGM-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H21N5S/c1-5-14-10(4)13-15-16-17-18(13)12(9(2)3)11-7-6-8-19-11/h6-10,12,14H,5H2,1-4H3.
What are the key properties of N-ethyl-1-[1-(2-methyl-1-thiophen-2-ylpropyl)tetrazol-5-yl]ethanamine?
N-ethyl-1-[1-(2-methyl-1-thiophen-2-ylpropyl)tetrazol-5-yl]ethanamine has a molecular weight of 279.41 g/mol, XLogP of 2.65, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-1-[1-(2-methyl-1-thiophen-2-ylpropyl)tetrazol-5-yl]ethanamine is sourced from PubChem (CID 103085799), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).