N-ethyl-2-methyl-N-[2-[4-(methylaminomethyl)triazol-1-yl]ethyl]aniline

C15H23N5 — CID 62424016

IUPACN-ethyl-2-methyl-N-[2-[4-(methylaminomethyl)triazol-1-yl]ethyl]aniline
SMILESCCN(CCn1cc(CNC)nn1)c1ccccc1C
InChIInChI=1S/C15H23N5/c1-4-19(15-8-6-5-7-13(15)2)9-10-20-12-14(11-16-3)17-18-20/h5-8,12,16H,4,9-11H2,1-3H3
InChIKeyRUUPZKMPGRMMER-UHFFFAOYSA-N
MW273.38 g/mol
LogP1.83
Rot. Bonds7

About N-ethyl-2-methyl-N-[2-[4-(methylaminomethyl)triazol-1-yl]ethyl]aniline

N-ethyl-2-methyl-N-[2-[4-(methylaminomethyl)triazol-1-yl]ethyl]aniline (PubChem CID 62424016) has the molecular formula C15H23N5 and a molecular weight of 273.38 g/mol. Its IUPAC name is N-ethyl-2-methyl-N-[2-[4-(methylaminomethyl)triazol-1-yl]ethyl]aniline.

Molecular Properties

Compound NameN-ethyl-2-methyl-N-[2-[4-(methylaminomethyl)triazol-1-yl]ethyl]aniline
PubChem CID62424016
Molecular FormulaC15H23N5
Molecular Weight273.38 g/mol
Exact Mass273.20
IUPAC NameN-ethyl-2-methyl-N-[2-[4-(methylaminomethyl)triazol-1-yl]ethyl]aniline
SMILESCCN(CCn1cc(CNC)nn1)c1ccccc1C
InChIInChI=1S/C15H23N5/c1-4-19(15-8-6-5-7-13(15)2)9-10-20-12-14(11-16-3)17-18-20/h5-8,12,16H,4,9-11H2,1-3H3
InChIKeyRUUPZKMPGRMMER-UHFFFAOYSA-N
XLogP1.83
TPSA45.98 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500273.38
LogP ≤ 51.83
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-[2-[4-(ethylaminomethyl)triazol-1-yl]ethyl]-N,2-dimethylaniline
CID 62436489
N-methyl-N-[2-[4-(methylaminomethyl)triazol-1-yl]ethyl]aniline
CID 55069971
2-methoxy-N-methyl-N-[2-[4-(methylaminomethyl)triazol-1-yl]ethyl]aniline
CID 62429146
N-ethyl-N-[2-[4-[(propan-2-ylamino)methyl]triazol-1-yl]ethyl]aniline
CID 62423786
N-methyl-N-[2-[4-(methylaminomethyl)triazol-1-yl]ethyl]pentan-2-amine
CID 62433817
N-methyl-2-[4-(methylaminomethyl)triazol-1-yl]-N-(2-methylsulfanylethyl)ethanamine
CID 112665539
N-methyl-N-[2-[4-(methylaminomethyl)triazol-1-yl]ethyl]-2-pyridin-4-ylethanamine
CID 62427263
N,2-dimethyl-N-[2-[4-(methylaminomethyl)triazol-1-yl]ethyl]cyclohexan-1-amine
CID 62462234
1-[1-[2-(3,5-dimethylpyrazol-1-yl)ethyl]triazol-4-yl]-N-methylmethanamine
CID 62447011
N-methyl-2-[4-(methylaminomethyl)triazol-1-yl]-N-(2-methylsulfonylethyl)ethanamine
CID 79859325
1-[2-(N-ethyl-2-fluoroanilino)ethyl]triazole-4-carbohydrazide
CID 63583992
N-methyl-2-[4-(methylaminomethyl)triazol-1-yl]-N-[(2-methyl-1,3-thiazol-4-yl)methyl]ethanamine
CID 62428294

Frequently Asked Questions

What is the IUPAC name of N-ethyl-2-methyl-N-[2-[4-(methylaminomethyl)triazol-1-yl]ethyl]aniline?
The IUPAC name of N-ethyl-2-methyl-N-[2-[4-(methylaminomethyl)triazol-1-yl]ethyl]aniline (CID 62424016) is N-ethyl-2-methyl-N-[2-[4-(methylaminomethyl)triazol-1-yl]ethyl]aniline.
What is the SMILES notation for N-ethyl-2-methyl-N-[2-[4-(methylaminomethyl)triazol-1-yl]ethyl]aniline?
The canonical SMILES for N-ethyl-2-methyl-N-[2-[4-(methylaminomethyl)triazol-1-yl]ethyl]aniline is CCN(CCn1cc(CNC)nn1)c1ccccc1C.
What is the InChIKey of N-ethyl-2-methyl-N-[2-[4-(methylaminomethyl)triazol-1-yl]ethyl]aniline?
The InChIKey is RUUPZKMPGRMMER-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H23N5/c1-4-19(15-8-6-5-7-13(15)2)9-10-20-12-14(11-16-3)17-18-20/h5-8,12,16H,4,9-11H2,1-3H3.
What are the key properties of N-ethyl-2-methyl-N-[2-[4-(methylaminomethyl)triazol-1-yl]ethyl]aniline?
N-ethyl-2-methyl-N-[2-[4-(methylaminomethyl)triazol-1-yl]ethyl]aniline has a molecular weight of 273.38 g/mol, XLogP of 1.83, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-2-methyl-N-[2-[4-(methylaminomethyl)triazol-1-yl]ethyl]aniline is sourced from PubChem (CID 62424016), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).