N-[[1-(thiophen-2-ylmethyl)tetrazol-5-yl]methyl]propan-1-amine

C10H15N5S — CID 62736140

IUPACN-[[1-(thiophen-2-ylmethyl)tetrazol-5-yl]methyl]propan-1-amine
SMILESCCCNCc1nnnn1Cc1cccs1
InChIInChI=1S/C10H15N5S/c1-2-5-11-7-10-12-13-14-15(10)8-9-4-3-6-16-9/h3-4,6,11H,2,5,7-8H2,1H3
InChIKeyOFSLWJWMHXZZCX-UHFFFAOYSA-N
MW237.33 g/mol
LogP1.28
Rot. Bonds6

About N-[[1-(thiophen-2-ylmethyl)tetrazol-5-yl]methyl]propan-1-amine

N-[[1-(thiophen-2-ylmethyl)tetrazol-5-yl]methyl]propan-1-amine (PubChem CID 62736140) has the molecular formula C10H15N5S and a molecular weight of 237.33 g/mol. Its IUPAC name is N-[[1-(thiophen-2-ylmethyl)tetrazol-5-yl]methyl]propan-1-amine.

Molecular Properties

Compound NameN-[[1-(thiophen-2-ylmethyl)tetrazol-5-yl]methyl]propan-1-amine
PubChem CID62736140
Molecular FormulaC10H15N5S
Molecular Weight237.33 g/mol
Exact Mass237.10
IUPAC NameN-[[1-(thiophen-2-ylmethyl)tetrazol-5-yl]methyl]propan-1-amine
SMILESCCCNCc1nnnn1Cc1cccs1
InChIInChI=1S/C10H15N5S/c1-2-5-11-7-10-12-13-14-15(10)8-9-4-3-6-16-9/h3-4,6,11H,2,5,7-8H2,1H3
InChIKeyOFSLWJWMHXZZCX-UHFFFAOYSA-N
XLogP1.28
TPSA55.63 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500237.33
LogP ≤ 51.28
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

N-[[1-(thiophen-2-ylmethyl)triazol-4-yl]methyl]propan-1-amine
CID 66192968
N-[[1-[(3-bromophenyl)methyl]tetrazol-5-yl]methyl]propan-1-amine
CID 62762781
N-[[1-(cyclobutylmethyl)tetrazol-5-yl]methyl]propan-1-amine
CID 62735756
N-[[1-[2-(2-fluorophenyl)ethyl]tetrazol-5-yl]methyl]propan-1-amine
CID 55109484
N-[[1-(3-phenylbutyl)tetrazol-5-yl]methyl]propan-1-amine
CID 62988235
N-[[1-(1-thiophen-2-ylpropan-2-yl)tetrazol-5-yl]methyl]ethanamine
CID 63292400
N-[[1-[2-(4-chlorophenyl)ethyl]tetrazol-5-yl]methyl]propan-1-amine
CID 62761167
(1S)-N'-[(1-benzyltetrazol-5-yl)methyl]-N,N-dimethyl-1-thiophen-2-ylethane-1,2-diamine
CID 94177727
2-thiophen-2-yl-5-[(1R)-1-[1-(thiophen-2-ylmethyl)tetrazol-5-yl]sulfanylethyl]-1,3,4-oxadiazole
CID 41143175
5-[2-(4-bromopyrazol-1-yl)ethyl]-1-(thiophen-2-ylmethyl)tetrazole
CID 166399814
4-[[5-(thiophen-2-ylmethyl)tetrazol-1-yl]methyl]aniline
CID 84759684
N-propan-2-yl-2-[1-(thiophen-2-ylmethyl)tetrazol-5-yl]sulfanylacetamide
CID 32711288

Frequently Asked Questions

What is the IUPAC name of N-[[1-(thiophen-2-ylmethyl)tetrazol-5-yl]methyl]propan-1-amine?
The IUPAC name of N-[[1-(thiophen-2-ylmethyl)tetrazol-5-yl]methyl]propan-1-amine (CID 62736140) is N-[[1-(thiophen-2-ylmethyl)tetrazol-5-yl]methyl]propan-1-amine.
What is the SMILES notation for N-[[1-(thiophen-2-ylmethyl)tetrazol-5-yl]methyl]propan-1-amine?
The canonical SMILES for N-[[1-(thiophen-2-ylmethyl)tetrazol-5-yl]methyl]propan-1-amine is CCCNCc1nnnn1Cc1cccs1.
What is the InChIKey of N-[[1-(thiophen-2-ylmethyl)tetrazol-5-yl]methyl]propan-1-amine?
The InChIKey is OFSLWJWMHXZZCX-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H15N5S/c1-2-5-11-7-10-12-13-14-15(10)8-9-4-3-6-16-9/h3-4,6,11H,2,5,7-8H2,1H3.
What are the key properties of N-[[1-(thiophen-2-ylmethyl)tetrazol-5-yl]methyl]propan-1-amine?
N-[[1-(thiophen-2-ylmethyl)tetrazol-5-yl]methyl]propan-1-amine has a molecular weight of 237.33 g/mol, XLogP of 1.28, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[1-(thiophen-2-ylmethyl)tetrazol-5-yl]methyl]propan-1-amine is sourced from PubChem (CID 62736140), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).