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

C15H25N5S — CID 103085714

IUPAC2-methyl-N-[1-[1-(1-thiophen-2-ylbutyl)tetrazol-5-yl]ethyl]propan-1-amine
SMILESCCCC(c1cccs1)n1nnnc1C(C)NCC(C)C
InChIInChI=1S/C15H25N5S/c1-5-7-13(14-8-6-9-21-14)20-15(17-18-19-20)12(4)16-10-11(2)3/h6,8-9,11-13,16H,5,7,10H2,1-4H3
InChIKeyRJUSYDKCHQPDJE-UHFFFAOYSA-N
MW307.47 g/mol
LogP3.43
Rot. Bonds8

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

2-methyl-N-[1-[1-(1-thiophen-2-ylbutyl)tetrazol-5-yl]ethyl]propan-1-amine (PubChem CID 103085714) has the molecular formula C15H25N5S and a molecular weight of 307.47 g/mol. Its IUPAC name is 2-methyl-N-[1-[1-(1-thiophen-2-ylbutyl)tetrazol-5-yl]ethyl]propan-1-amine.

Molecular Properties

Compound Name2-methyl-N-[1-[1-(1-thiophen-2-ylbutyl)tetrazol-5-yl]ethyl]propan-1-amine
PubChem CID103085714
Molecular FormulaC15H25N5S
Molecular Weight307.47 g/mol
Exact Mass307.18
IUPAC Name2-methyl-N-[1-[1-(1-thiophen-2-ylbutyl)tetrazol-5-yl]ethyl]propan-1-amine
SMILESCCCC(c1cccs1)n1nnnc1C(C)NCC(C)C
InChIInChI=1S/C15H25N5S/c1-5-7-13(14-8-6-9-21-14)20-15(17-18-19-20)12(4)16-10-11(2)3/h6,8-9,11-13,16H,5,7,10H2,1-4H3
InChIKeyRJUSYDKCHQPDJE-UHFFFAOYSA-N
XLogP3.43
TPSA55.63 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500307.47
LogP ≤ 53.43
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

N-ethyl-1-[1-(2-methyl-1-thiophen-2-ylpropyl)tetrazol-5-yl]ethanamine
CID 103085799
2-methyl-N-[(1R)-1-thiophen-2-ylethyl]pentan-1-amine
CID 81398925
N-[1-[1-[1-(4-fluorophenyl)ethyl]tetrazol-5-yl]ethyl]-2-methylpropan-1-amine
CID 103085762
4-methyl-N-(2-methylpropyl)-1-(1-thiophen-2-ylbutyl)imidazol-2-amine
CID 106565325
N-[1-[1-(dicyclopropylmethyl)tetrazol-5-yl]ethyl]-2-methylpropan-1-amine
CID 103085941
N-[1-[1-(1-phenylpropyl)tetrazol-5-yl]ethyl]propan-1-amine
CID 103085558
N-ethyl-1-(1-hexan-3-yltetrazol-5-yl)ethanamine
CID 103085598
2-methyl-N-[[3-(1-thiophen-2-ylbutyl)imidazol-4-yl]methyl]propan-1-amine
CID 66149673
N-[[1-(2-methyl-1-thiophen-2-ylpropyl)tetrazol-5-yl]methyl]propan-2-amine
CID 62762055
N-[1-(1-butyltetrazol-5-yl)ethyl]-2-methylpropan-1-amine
CID 103085267
5-[1-[(1R)-1-thiophen-2-ylbutyl]triazol-4-yl]pyrimidine
CID 97188240
N-[1-[1-(1-phenylethyl)tetrazol-5-yl]ethyl]propan-1-amine
CID 103085388

Frequently Asked Questions

What is the IUPAC name of 2-methyl-N-[1-[1-(1-thiophen-2-ylbutyl)tetrazol-5-yl]ethyl]propan-1-amine?
The IUPAC name of 2-methyl-N-[1-[1-(1-thiophen-2-ylbutyl)tetrazol-5-yl]ethyl]propan-1-amine (CID 103085714) is 2-methyl-N-[1-[1-(1-thiophen-2-ylbutyl)tetrazol-5-yl]ethyl]propan-1-amine.
What is the SMILES notation for 2-methyl-N-[1-[1-(1-thiophen-2-ylbutyl)tetrazol-5-yl]ethyl]propan-1-amine?
The canonical SMILES for 2-methyl-N-[1-[1-(1-thiophen-2-ylbutyl)tetrazol-5-yl]ethyl]propan-1-amine is CCCC(c1cccs1)n1nnnc1C(C)NCC(C)C.
What is the InChIKey of 2-methyl-N-[1-[1-(1-thiophen-2-ylbutyl)tetrazol-5-yl]ethyl]propan-1-amine?
The InChIKey is RJUSYDKCHQPDJE-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H25N5S/c1-5-7-13(14-8-6-9-21-14)20-15(17-18-19-20)12(4)16-10-11(2)3/h6,8-9,11-13,16H,5,7,10H2,1-4H3.
What are the key properties of 2-methyl-N-[1-[1-(1-thiophen-2-ylbutyl)tetrazol-5-yl]ethyl]propan-1-amine?
2-methyl-N-[1-[1-(1-thiophen-2-ylbutyl)tetrazol-5-yl]ethyl]propan-1-amine has a molecular weight of 307.47 g/mol, XLogP of 3.43, 8 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-N-[1-[1-(1-thiophen-2-ylbutyl)tetrazol-5-yl]ethyl]propan-1-amine is sourced from PubChem (CID 103085714), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).