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

C13H21N5S — CID 103085581

IUPAC2-methyl-N-[1-[1-[(5-methylthiophen-2-yl)methyl]tetrazol-5-yl]ethyl]propan-1-amine
SMILESCc1ccc(Cn2nnnc2C(C)NCC(C)C)s1
InChIInChI=1S/C13H21N5S/c1-9(2)7-14-11(4)13-15-16-17-18(13)8-12-6-5-10(3)19-12/h5-6,9,11,14H,7-8H2,1-4H3
InChIKeyHLIJKQXUQHSTLG-UHFFFAOYSA-N
MW279.41 g/mol
LogP2.40
Rot. Bonds6

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

2-methyl-N-[1-[1-[(5-methylthiophen-2-yl)methyl]tetrazol-5-yl]ethyl]propan-1-amine (PubChem CID 103085581) has the molecular formula C13H21N5S and a molecular weight of 279.41 g/mol. Its IUPAC name is 2-methyl-N-[1-[1-[(5-methylthiophen-2-yl)methyl]tetrazol-5-yl]ethyl]propan-1-amine.

Molecular Properties

Compound Name2-methyl-N-[1-[1-[(5-methylthiophen-2-yl)methyl]tetrazol-5-yl]ethyl]propan-1-amine
PubChem CID103085581
Molecular FormulaC13H21N5S
Molecular Weight279.41 g/mol
Exact Mass279.15
IUPAC Name2-methyl-N-[1-[1-[(5-methylthiophen-2-yl)methyl]tetrazol-5-yl]ethyl]propan-1-amine
SMILESCc1ccc(Cn2nnnc2C(C)NCC(C)C)s1
InChIInChI=1S/C13H21N5S/c1-9(2)7-14-11(4)13-15-16-17-18(13)8-12-6-5-10(3)19-12/h5-6,9,11,14H,7-8H2,1-4H3
InChIKeyHLIJKQXUQHSTLG-UHFFFAOYSA-N
XLogP2.40
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 ≤ 52.40
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

N-[1-[1-[(4-methoxyphenyl)methyl]tetrazol-5-yl]ethyl]-2-methylpropan-1-amine
CID 103085288
N-[1-(1-butyltetrazol-5-yl)ethyl]-2-methylpropan-1-amine
CID 103085267
N-[1-[1-(2,2-dimethylpropyl)tetrazol-5-yl]ethyl]-2-methylpropan-1-amine
CID 103085674
N-ethyl-1-[1-(thiophen-3-ylmethyl)tetrazol-5-yl]ethanamine
CID 103086139
2-methyl-N-[1-[1-[2-(2-methylphenyl)ethyl]tetrazol-5-yl]ethyl]propan-1-amine
CID 103086517
N-[1-(1-hexyltetrazol-5-yl)ethyl]-2-methylpropan-1-amine
CID 103086259
N-[1-[1-(2-fluoro-5-methylphenyl)tetrazol-5-yl]ethyl]-2-methylpropan-1-amine
CID 103084797
N-[1-[1-(5-bromo-2-methylphenyl)tetrazol-5-yl]ethyl]-2-methylpropan-1-amine
CID 103085187
N-[1-[1-(2-bromophenyl)tetrazol-5-yl]ethyl]-2-methylpropan-1-amine
CID 103084884
N-[1-[1-[1-(4-fluorophenyl)ethyl]tetrazol-5-yl]ethyl]-2-methylpropan-1-amine
CID 103085762
N-[1-[1-(3,4-difluorophenyl)tetrazol-5-yl]ethyl]-2-methylpropan-1-amine
CID 103085104
1-[1-[2-(5-chlorothiophen-2-yl)ethyl]tetrazol-5-yl]-N-(2-methoxyethyl)ethanamine
CID 106043176

Frequently Asked Questions

What is the IUPAC name of 2-methyl-N-[1-[1-[(5-methylthiophen-2-yl)methyl]tetrazol-5-yl]ethyl]propan-1-amine?
The IUPAC name of 2-methyl-N-[1-[1-[(5-methylthiophen-2-yl)methyl]tetrazol-5-yl]ethyl]propan-1-amine (CID 103085581) is 2-methyl-N-[1-[1-[(5-methylthiophen-2-yl)methyl]tetrazol-5-yl]ethyl]propan-1-amine.
What is the SMILES notation for 2-methyl-N-[1-[1-[(5-methylthiophen-2-yl)methyl]tetrazol-5-yl]ethyl]propan-1-amine?
The canonical SMILES for 2-methyl-N-[1-[1-[(5-methylthiophen-2-yl)methyl]tetrazol-5-yl]ethyl]propan-1-amine is Cc1ccc(Cn2nnnc2C(C)NCC(C)C)s1.
What is the InChIKey of 2-methyl-N-[1-[1-[(5-methylthiophen-2-yl)methyl]tetrazol-5-yl]ethyl]propan-1-amine?
The InChIKey is HLIJKQXUQHSTLG-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H21N5S/c1-9(2)7-14-11(4)13-15-16-17-18(13)8-12-6-5-10(3)19-12/h5-6,9,11,14H,7-8H2,1-4H3.
What are the key properties of 2-methyl-N-[1-[1-[(5-methylthiophen-2-yl)methyl]tetrazol-5-yl]ethyl]propan-1-amine?
2-methyl-N-[1-[1-[(5-methylthiophen-2-yl)methyl]tetrazol-5-yl]ethyl]propan-1-amine has a molecular weight of 279.41 g/mol, XLogP of 2.40, 6 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-[(5-methylthiophen-2-yl)methyl]tetrazol-5-yl]ethyl]propan-1-amine is sourced from PubChem (CID 103085581), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).