N-[2-(3,5-dimethylphenyl)-1-(3-methyltriazol-4-yl)ethyl]propan-1-amine

C16H24N4 — CID 114687519

IUPACN-[2-(3,5-dimethylphenyl)-1-(3-methyltriazol-4-yl)ethyl]propan-1-amine
SMILESCCCNC(Cc1cc(C)cc(C)c1)c1cnnn1C
InChIInChI=1S/C16H24N4/c1-5-6-17-15(16-11-18-19-20(16)4)10-14-8-12(2)7-13(3)9-14/h7-9,11,15,17H,5-6,10H2,1-4H3
InChIKeyZUKKMDIQCYZPHK-UHFFFAOYSA-N
MW272.40 g/mol
LogP2.72
Rot. Bonds6

About N-[2-(3,5-dimethylphenyl)-1-(3-methyltriazol-4-yl)ethyl]propan-1-amine

N-[2-(3,5-dimethylphenyl)-1-(3-methyltriazol-4-yl)ethyl]propan-1-amine (PubChem CID 114687519) has the molecular formula C16H24N4 and a molecular weight of 272.40 g/mol. Its IUPAC name is N-[2-(3,5-dimethylphenyl)-1-(3-methyltriazol-4-yl)ethyl]propan-1-amine.

Molecular Properties

Compound NameN-[2-(3,5-dimethylphenyl)-1-(3-methyltriazol-4-yl)ethyl]propan-1-amine
PubChem CID114687519
Molecular FormulaC16H24N4
Molecular Weight272.40 g/mol
Exact Mass272.20
IUPAC NameN-[2-(3,5-dimethylphenyl)-1-(3-methyltriazol-4-yl)ethyl]propan-1-amine
SMILESCCCNC(Cc1cc(C)cc(C)c1)c1cnnn1C
InChIInChI=1S/C16H24N4/c1-5-6-17-15(16-11-18-19-20(16)4)10-14-8-12(2)7-13(3)9-14/h7-9,11,15,17H,5-6,10H2,1-4H3
InChIKeyZUKKMDIQCYZPHK-UHFFFAOYSA-N
XLogP2.72
TPSA42.74 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500272.40
LogP ≤ 52.72
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-[2-(4-methylphenyl)-1-(3-methyltriazol-4-yl)ethyl]propan-1-amine
CID 114687476
2-(3,5-dimethylphenyl)-N-methyl-1-(3-methyltriazol-4-yl)ethanamine
CID 114687515
1-(3-methyltriazol-4-yl)-N-propylbutan-1-amine
CID 114687206
1-(3-methyltriazol-4-yl)-N-propylheptan-1-amine
CID 105043647
3-methyl-1-(3-methyltriazol-4-yl)-N-propylpentan-1-amine
CID 105043705
N',N'-dimethyl-1-(3-methyltriazol-4-yl)-N-propylpropane-1,3-diamine
CID 114688885
N-[2-(3,5-dimethylphenyl)-1-(4-methyl-3-pyridinyl)ethyl]propan-1-amine
CID 66274194
N-[1-(3-ethyl-1-methylpyrazol-5-yl)-2-(3-methylphenyl)ethyl]propan-1-amine
CID 105091416
N-[(3,5-dimethyl-2-pyridinyl)-(3-methyltriazol-4-yl)methyl]propan-1-amine
CID 114689034
2-(3,5-dimethylphenyl)-1-(3-propyltriazol-4-yl)ethanol
CID 114686393
[2-(3,5-difluorophenyl)-1-(3-methyltriazol-4-yl)ethyl]hydrazine
CID 105206647
3-(furan-2-yl)-1-(3-methyltriazol-4-yl)-N-propylpropan-1-amine
CID 105184733

Frequently Asked Questions

What is the IUPAC name of N-[2-(3,5-dimethylphenyl)-1-(3-methyltriazol-4-yl)ethyl]propan-1-amine?
The IUPAC name of N-[2-(3,5-dimethylphenyl)-1-(3-methyltriazol-4-yl)ethyl]propan-1-amine (CID 114687519) is N-[2-(3,5-dimethylphenyl)-1-(3-methyltriazol-4-yl)ethyl]propan-1-amine.
What is the SMILES notation for N-[2-(3,5-dimethylphenyl)-1-(3-methyltriazol-4-yl)ethyl]propan-1-amine?
The canonical SMILES for N-[2-(3,5-dimethylphenyl)-1-(3-methyltriazol-4-yl)ethyl]propan-1-amine is CCCNC(Cc1cc(C)cc(C)c1)c1cnnn1C.
What is the InChIKey of N-[2-(3,5-dimethylphenyl)-1-(3-methyltriazol-4-yl)ethyl]propan-1-amine?
The InChIKey is ZUKKMDIQCYZPHK-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H24N4/c1-5-6-17-15(16-11-18-19-20(16)4)10-14-8-12(2)7-13(3)9-14/h7-9,11,15,17H,5-6,10H2,1-4H3.
What are the key properties of N-[2-(3,5-dimethylphenyl)-1-(3-methyltriazol-4-yl)ethyl]propan-1-amine?
N-[2-(3,5-dimethylphenyl)-1-(3-methyltriazol-4-yl)ethyl]propan-1-amine has a molecular weight of 272.40 g/mol, XLogP of 2.72, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(3,5-dimethylphenyl)-1-(3-methyltriazol-4-yl)ethyl]propan-1-amine is sourced from PubChem (CID 114687519), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).