N-[[1-(1-thiophen-3-ylpropan-2-yl)tetrazol-5-yl]methyl]ethanamine

C11H17N5S — CID 62763674

IUPACN-[[1-(1-thiophen-3-ylpropan-2-yl)tetrazol-5-yl]methyl]ethanamine
SMILESCCNCc1nnnn1C(C)Cc1ccsc1
InChIInChI=1S/C11H17N5S/c1-3-12-7-11-13-14-15-16(11)9(2)6-10-4-5-17-8-10/h4-5,8-9,12H,3,6-7H2,1-2H3
InChIKeyBJEFQOAYRIBBNS-UHFFFAOYSA-N
MW251.36 g/mol
LogP1.65
Rot. Bonds6

About N-[[1-(1-thiophen-3-ylpropan-2-yl)tetrazol-5-yl]methyl]ethanamine

N-[[1-(1-thiophen-3-ylpropan-2-yl)tetrazol-5-yl]methyl]ethanamine (PubChem CID 62763674) has the molecular formula C11H17N5S and a molecular weight of 251.36 g/mol. Its IUPAC name is N-[[1-(1-thiophen-3-ylpropan-2-yl)tetrazol-5-yl]methyl]ethanamine.

Molecular Properties

Compound NameN-[[1-(1-thiophen-3-ylpropan-2-yl)tetrazol-5-yl]methyl]ethanamine
PubChem CID62763674
Molecular FormulaC11H17N5S
Molecular Weight251.36 g/mol
Exact Mass251.12
IUPAC NameN-[[1-(1-thiophen-3-ylpropan-2-yl)tetrazol-5-yl]methyl]ethanamine
SMILESCCNCc1nnnn1C(C)Cc1ccsc1
InChIInChI=1S/C11H17N5S/c1-3-12-7-11-13-14-15-16(11)9(2)6-10-4-5-17-8-10/h4-5,8-9,12H,3,6-7H2,1-2H3
InChIKeyBJEFQOAYRIBBNS-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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Related Compounds

N-[[1-(1-thiophen-2-ylpropan-2-yl)tetrazol-5-yl]methyl]ethanamine
CID 63292400
N-[[1-[1-(4-fluorophenyl)propan-2-yl]tetrazol-5-yl]methyl]propan-1-amine
CID 62994621
N-[[1-(6-methylheptan-2-yl)tetrazol-5-yl]methyl]ethanamine
CID 62761353
N-[(1-heptan-2-yltetrazol-5-yl)methyl]ethanamine
CID 62761889
N-[[1-(1-methylsulfonylpropan-2-yl)tetrazol-5-yl]methyl]ethanamine
CID 64644246
N-[[1-[1-(4-fluorophenyl)propan-2-yl]tetrazol-5-yl]methyl]-2-methoxyethanamine
CID 62994447
N-[[1-[1-(3-bromophenyl)ethyl]tetrazol-5-yl]methyl]ethanamine
CID 62763303
N-ethyl-1-[1-(thiophen-3-ylmethyl)tetrazol-5-yl]ethanamine
CID 103086139
N-[(1-cyclopropyltetrazol-5-yl)methyl]-1-thiophen-3-ylmethanamine
CID 115656745
3-(2-fluoropropyl)thiophene
CID 74766003
2-methyl-N-[[3-(1-thiophen-3-ylpropan-2-yl)imidazol-4-yl]methyl]propan-1-amine
CID 66146542
N-(1-thiophen-3-ylpropan-2-yl)formamide
CID 64992100

Frequently Asked Questions

What is the IUPAC name of N-[[1-(1-thiophen-3-ylpropan-2-yl)tetrazol-5-yl]methyl]ethanamine?
The IUPAC name of N-[[1-(1-thiophen-3-ylpropan-2-yl)tetrazol-5-yl]methyl]ethanamine (CID 62763674) is N-[[1-(1-thiophen-3-ylpropan-2-yl)tetrazol-5-yl]methyl]ethanamine.
What is the SMILES notation for N-[[1-(1-thiophen-3-ylpropan-2-yl)tetrazol-5-yl]methyl]ethanamine?
The canonical SMILES for N-[[1-(1-thiophen-3-ylpropan-2-yl)tetrazol-5-yl]methyl]ethanamine is CCNCc1nnnn1C(C)Cc1ccsc1.
What is the InChIKey of N-[[1-(1-thiophen-3-ylpropan-2-yl)tetrazol-5-yl]methyl]ethanamine?
The InChIKey is BJEFQOAYRIBBNS-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H17N5S/c1-3-12-7-11-13-14-15-16(11)9(2)6-10-4-5-17-8-10/h4-5,8-9,12H,3,6-7H2,1-2H3.
What are the key properties of N-[[1-(1-thiophen-3-ylpropan-2-yl)tetrazol-5-yl]methyl]ethanamine?
N-[[1-(1-thiophen-3-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-3-ylpropan-2-yl)tetrazol-5-yl]methyl]ethanamine is sourced from PubChem (CID 62763674), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).