N-ethyl-1-[1-(4-ethylphenyl)-5-methyltriazol-4-yl]ethanamine

C15H22N4 — CID 43671214

IUPACN-ethyl-1-[1-(4-ethylphenyl)-5-methyltriazol-4-yl]ethanamine
SMILESCCNC(C)c1nnn(-c2ccc(CC)cc2)c1C
InChIInChI=1S/C15H22N4/c1-5-13-7-9-14(10-8-13)19-12(4)15(17-18-19)11(3)16-6-2/h7-11,16H,5-6H2,1-4H3
InChIKeyOAXDKAKJYRSADJ-UHFFFAOYSA-N
MW258.37 g/mol
LogP2.81
Rot. Bonds5

About N-ethyl-1-[1-(4-ethylphenyl)-5-methyltriazol-4-yl]ethanamine

N-ethyl-1-[1-(4-ethylphenyl)-5-methyltriazol-4-yl]ethanamine (PubChem CID 43671214) has the molecular formula C15H22N4 and a molecular weight of 258.37 g/mol. Its IUPAC name is N-ethyl-1-[1-(4-ethylphenyl)-5-methyltriazol-4-yl]ethanamine.

Molecular Properties

Compound NameN-ethyl-1-[1-(4-ethylphenyl)-5-methyltriazol-4-yl]ethanamine
PubChem CID43671214
Molecular FormulaC15H22N4
Molecular Weight258.37 g/mol
Exact Mass258.18
IUPAC NameN-ethyl-1-[1-(4-ethylphenyl)-5-methyltriazol-4-yl]ethanamine
SMILESCCNC(C)c1nnn(-c2ccc(CC)cc2)c1C
InChIInChI=1S/C15H22N4/c1-5-13-7-9-14(10-8-13)19-12(4)15(17-18-19)11(3)16-6-2/h7-11,16H,5-6H2,1-4H3
InChIKeyOAXDKAKJYRSADJ-UHFFFAOYSA-N
XLogP2.81
TPSA42.74 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500258.37
LogP ≤ 52.81
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-ethyl-1-[1-(4-ethylphenyl)-5-methyltriazol-4-yl]ethanamine?
The IUPAC name of N-ethyl-1-[1-(4-ethylphenyl)-5-methyltriazol-4-yl]ethanamine (CID 43671214) is N-ethyl-1-[1-(4-ethylphenyl)-5-methyltriazol-4-yl]ethanamine.
What is the SMILES notation for N-ethyl-1-[1-(4-ethylphenyl)-5-methyltriazol-4-yl]ethanamine?
The canonical SMILES for N-ethyl-1-[1-(4-ethylphenyl)-5-methyltriazol-4-yl]ethanamine is CCNC(C)c1nnn(-c2ccc(CC)cc2)c1C.
What is the InChIKey of N-ethyl-1-[1-(4-ethylphenyl)-5-methyltriazol-4-yl]ethanamine?
The InChIKey is OAXDKAKJYRSADJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22N4/c1-5-13-7-9-14(10-8-13)19-12(4)15(17-18-19)11(3)16-6-2/h7-11,16H,5-6H2,1-4H3.
What are the key properties of N-ethyl-1-[1-(4-ethylphenyl)-5-methyltriazol-4-yl]ethanamine?
N-ethyl-1-[1-(4-ethylphenyl)-5-methyltriazol-4-yl]ethanamine has a molecular weight of 258.37 g/mol, XLogP of 2.81, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-1-[1-(4-ethylphenyl)-5-methyltriazol-4-yl]ethanamine is sourced from PubChem (CID 43671214), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).