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

C11H17N5S — CID 63292400

IUPACN-[[1-(1-thiophen-2-ylpropan-2-yl)tetrazol-5-yl]methyl]ethanamine
SMILESCCNCc1nnnn1C(C)Cc1cccs1
InChIInChI=1S/C11H17N5S/c1-3-12-8-11-13-14-15-16(11)9(2)7-10-5-4-6-17-10/h4-6,9,12H,3,7-8H2,1-2H3
InChIKeyCPVQEEYILWRQOQ-UHFFFAOYSA-N
MW251.36 g/mol
LogP1.65
Rot. Bonds6

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

N-[[1-(1-thiophen-2-ylpropan-2-yl)tetrazol-5-yl]methyl]ethanamine (PubChem CID 63292400) has the molecular formula C11H17N5S and a molecular weight of 251.36 g/mol. Its IUPAC name is N-[[1-(1-thiophen-2-ylpropan-2-yl)tetrazol-5-yl]methyl]ethanamine.

Molecular Properties

Compound NameN-[[1-(1-thiophen-2-ylpropan-2-yl)tetrazol-5-yl]methyl]ethanamine
PubChem CID63292400
Molecular FormulaC11H17N5S
Molecular Weight251.36 g/mol
Exact Mass251.12
IUPAC NameN-[[1-(1-thiophen-2-ylpropan-2-yl)tetrazol-5-yl]methyl]ethanamine
SMILESCCNCc1nnnn1C(C)Cc1cccs1
InChIInChI=1S/C11H17N5S/c1-3-12-8-11-13-14-15-16(11)9(2)7-10-5-4-6-17-10/h4-6,9,12H,3,7-8H2,1-2H3
InChIKeyCPVQEEYILWRQOQ-UHFFFAOYSA-N
XLogP1.65
TPSA55.63 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500251.36
LogP ≤ 51.65
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of N-[[1-(1-thiophen-2-ylpropan-2-yl)tetrazol-5-yl]methyl]ethanamine?
The IUPAC name of N-[[1-(1-thiophen-2-ylpropan-2-yl)tetrazol-5-yl]methyl]ethanamine (CID 63292400) is N-[[1-(1-thiophen-2-ylpropan-2-yl)tetrazol-5-yl]methyl]ethanamine.
What is the SMILES notation for N-[[1-(1-thiophen-2-ylpropan-2-yl)tetrazol-5-yl]methyl]ethanamine?
The canonical SMILES for N-[[1-(1-thiophen-2-ylpropan-2-yl)tetrazol-5-yl]methyl]ethanamine is CCNCc1nnnn1C(C)Cc1cccs1.
What is the InChIKey of N-[[1-(1-thiophen-2-ylpropan-2-yl)tetrazol-5-yl]methyl]ethanamine?
The InChIKey is CPVQEEYILWRQOQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H17N5S/c1-3-12-8-11-13-14-15-16(11)9(2)7-10-5-4-6-17-10/h4-6,9,12H,3,7-8H2,1-2H3.
What are the key properties of N-[[1-(1-thiophen-2-ylpropan-2-yl)tetrazol-5-yl]methyl]ethanamine?
N-[[1-(1-thiophen-2-ylpropan-2-yl)tetrazol-5-yl]methyl]ethanamine has a molecular weight of 251.36 g/mol, XLogP of 1.65, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[1-(1-thiophen-2-ylpropan-2-yl)tetrazol-5-yl]methyl]ethanamine is sourced from PubChem (CID 63292400), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).