N,N-dimethyl-2-(4-methylbenzotriazol-1-yl)ethanamine

C11H16N4 — CID 175951932

IUPACN,N-dimethyl-2-(4-methylbenzotriazol-1-yl)ethanamine
SMILESCc1cccc2c1nnn2CCN(C)C
InChIInChI=1S/C11H16N4/c1-9-5-4-6-10-11(9)12-13-15(10)8-7-14(2)3/h4-6H,7-8H2,1-3H3
InChIKeyUKNOIYFJWSSDRX-UHFFFAOYSA-N
MW204.28 g/mol
LogP1.30
Rot. Bonds3

About N,N-dimethyl-2-(4-methylbenzotriazol-1-yl)ethanamine

N,N-dimethyl-2-(4-methylbenzotriazol-1-yl)ethanamine (PubChem CID 175951932) has the molecular formula C11H16N4 and a molecular weight of 204.28 g/mol. Its IUPAC name is N,N-dimethyl-2-(4-methylbenzotriazol-1-yl)ethanamine.

Molecular Properties

Compound NameN,N-dimethyl-2-(4-methylbenzotriazol-1-yl)ethanamine
PubChem CID175951932
Molecular FormulaC11H16N4
Molecular Weight204.28 g/mol
Exact Mass204.14
IUPAC NameN,N-dimethyl-2-(4-methylbenzotriazol-1-yl)ethanamine
SMILESCc1cccc2c1nnn2CCN(C)C
InChIInChI=1S/C11H16N4/c1-9-5-4-6-10-11(9)12-13-15(10)8-7-14(2)3/h4-6H,7-8H2,1-3H3
InChIKeyUKNOIYFJWSSDRX-UHFFFAOYSA-N
XLogP1.30
TPSA33.95 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500204.28
LogP ≤ 51.30
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

1-ethyl-4-methylbenzotriazole
CID 121401272
3-(4-methylbenzotriazol-1-yl)propanoic acid
CID 170854505
4-methyl-1-prop-2-enylbenzotriazole
CID 134239382
3-[1-[2-(dimethylamino)ethyl]-4-methylbenzotriazol-5-yl]propanoic acid
CID 175951948
N',N'-dibutyl-N-[(4-methylbenzotriazol-1-yl)methyl]propane-1,3-diamine
CID 91491152
1-[2-[ethyl(methyl)amino]ethyl]benzotriazole-4-carboxylic acid
CID 115541869
2-[2-hydroxyethyl-[(4-methylbenzotriazol-1-yl)methyl]amino]ethanol;2-[2-hydroxyethyl-[(5-methylbenzotriazol-1-yl)methyl]amino]ethanol
CID 162028303
1-tert-butyl-4-methylbenzotriazole
CID 21069623
1-(4-methylbenzotriazol-1-yl)ethanone
CID 134294737
4-methyl-1-methylsulfonylbenzotriazole
CID 134239535
ethyl 4-methylbenzotriazole-1-carboxylate
CID 67917152
1-[2-(dimethylsulfamoyl)ethyl]benzotriazole-4-carboxylic acid
CID 106337038

Frequently Asked Questions

What is the IUPAC name of N,N-dimethyl-2-(4-methylbenzotriazol-1-yl)ethanamine?
The IUPAC name of N,N-dimethyl-2-(4-methylbenzotriazol-1-yl)ethanamine (CID 175951932) is N,N-dimethyl-2-(4-methylbenzotriazol-1-yl)ethanamine.
What is the SMILES notation for N,N-dimethyl-2-(4-methylbenzotriazol-1-yl)ethanamine?
The canonical SMILES for N,N-dimethyl-2-(4-methylbenzotriazol-1-yl)ethanamine is Cc1cccc2c1nnn2CCN(C)C.
What is the InChIKey of N,N-dimethyl-2-(4-methylbenzotriazol-1-yl)ethanamine?
The InChIKey is UKNOIYFJWSSDRX-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H16N4/c1-9-5-4-6-10-11(9)12-13-15(10)8-7-14(2)3/h4-6H,7-8H2,1-3H3.
What are the key properties of N,N-dimethyl-2-(4-methylbenzotriazol-1-yl)ethanamine?
N,N-dimethyl-2-(4-methylbenzotriazol-1-yl)ethanamine has a molecular weight of 204.28 g/mol, XLogP of 1.30, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N,N-dimethyl-2-(4-methylbenzotriazol-1-yl)ethanamine is sourced from PubChem (CID 175951932), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).