N-[1-[1-(2-ethyl-6-methylphenyl)tetrazol-5-yl]ethyl]propan-1-amine

C15H23N5 — CID 103084748

IUPACN-[1-[1-(2-ethyl-6-methylphenyl)tetrazol-5-yl]ethyl]propan-1-amine
SMILESCCCNC(C)c1nnnn1-c1c(C)cccc1CC
InChIInChI=1S/C15H23N5/c1-5-10-16-12(4)15-17-18-19-20(15)14-11(3)8-7-9-13(14)6-2/h7-9,12,16H,5-6,10H2,1-4H3
InChIKeyVGWNRKTXKUKWQC-UHFFFAOYSA-N
MW273.38 g/mol
LogP2.59
Rot. Bonds6

About N-[1-[1-(2-ethyl-6-methylphenyl)tetrazol-5-yl]ethyl]propan-1-amine

N-[1-[1-(2-ethyl-6-methylphenyl)tetrazol-5-yl]ethyl]propan-1-amine (PubChem CID 103084748) has the molecular formula C15H23N5 and a molecular weight of 273.38 g/mol. Its IUPAC name is N-[1-[1-(2-ethyl-6-methylphenyl)tetrazol-5-yl]ethyl]propan-1-amine.

Molecular Properties

Compound NameN-[1-[1-(2-ethyl-6-methylphenyl)tetrazol-5-yl]ethyl]propan-1-amine
PubChem CID103084748
Molecular FormulaC15H23N5
Molecular Weight273.38 g/mol
Exact Mass273.20
IUPAC NameN-[1-[1-(2-ethyl-6-methylphenyl)tetrazol-5-yl]ethyl]propan-1-amine
SMILESCCCNC(C)c1nnnn1-c1c(C)cccc1CC
InChIInChI=1S/C15H23N5/c1-5-10-16-12(4)15-17-18-19-20(15)14-11(3)8-7-9-13(14)6-2/h7-9,12,16H,5-6,10H2,1-4H3
InChIKeyVGWNRKTXKUKWQC-UHFFFAOYSA-N
XLogP2.59
TPSA55.63 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500273.38
LogP ≤ 52.59
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-[1-(1-phenyltetrazol-5-yl)ethyl]propan-1-amine
CID 103710980
N-[1-[1-(2-bromo-6-fluorophenyl)tetrazol-5-yl]ethyl]propan-1-amine
CID 107603626
N-[1-[1-(2,3-difluorophenyl)tetrazol-5-yl]ethyl]propan-1-amine
CID 103085956
N-[1-[1-(3-ethylphenyl)tetrazol-5-yl]ethyl]propan-1-amine
CID 103084870
N-[1-[1-(2,6-dibromo-4-methylphenyl)tetrazol-5-yl]ethyl]propan-1-amine
CID 103084921
N-[1-[1-(3-methoxyphenyl)tetrazol-5-yl]ethyl]propan-1-amine
CID 103084879
N-[[1-(2,6-diethylphenyl)tetrazol-5-yl]methyl]propan-1-amine
CID 62737958
N-[1-[1-(4-methylsulfonylphenyl)tetrazol-5-yl]ethyl]propan-1-amine
CID 103084961
N-[1-[1-(4-chloro-2-methoxy-5-methylphenyl)tetrazol-5-yl]ethyl]propan-1-amine
CID 103085140
N-[1-[1-(4-nitrophenyl)tetrazol-5-yl]ethyl]propan-1-amine
CID 103085127
1-[1-(2-ethyl-6-methylphenyl)tetrazol-5-yl]cyclopentan-1-amine
CID 3378751
[(1R)-1-[1-(2,6-dimethylphenyl)tetrazol-5-yl]-3-methylbutyl]-dimethylazanium
CID 7073073

Frequently Asked Questions

What is the IUPAC name of N-[1-[1-(2-ethyl-6-methylphenyl)tetrazol-5-yl]ethyl]propan-1-amine?
The IUPAC name of N-[1-[1-(2-ethyl-6-methylphenyl)tetrazol-5-yl]ethyl]propan-1-amine (CID 103084748) is N-[1-[1-(2-ethyl-6-methylphenyl)tetrazol-5-yl]ethyl]propan-1-amine.
What is the SMILES notation for N-[1-[1-(2-ethyl-6-methylphenyl)tetrazol-5-yl]ethyl]propan-1-amine?
The canonical SMILES for N-[1-[1-(2-ethyl-6-methylphenyl)tetrazol-5-yl]ethyl]propan-1-amine is CCCNC(C)c1nnnn1-c1c(C)cccc1CC.
What is the InChIKey of N-[1-[1-(2-ethyl-6-methylphenyl)tetrazol-5-yl]ethyl]propan-1-amine?
The InChIKey is VGWNRKTXKUKWQC-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H23N5/c1-5-10-16-12(4)15-17-18-19-20(15)14-11(3)8-7-9-13(14)6-2/h7-9,12,16H,5-6,10H2,1-4H3.
What are the key properties of N-[1-[1-(2-ethyl-6-methylphenyl)tetrazol-5-yl]ethyl]propan-1-amine?
N-[1-[1-(2-ethyl-6-methylphenyl)tetrazol-5-yl]ethyl]propan-1-amine has a molecular weight of 273.38 g/mol, XLogP of 2.59, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-[1-(2-ethyl-6-methylphenyl)tetrazol-5-yl]ethyl]propan-1-amine is sourced from PubChem (CID 103084748), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).