1-(2,3-dihydro-1H-inden-5-yl)-N-methyl-2-(1-methyltriazol-4-yl)ethanamine

C15H20N4 — CID 107063923

IUPAC1-(2,3-dihydro-1H-inden-5-yl)-N-methyl-2-(1-methyltriazol-4-yl)ethanamine
SMILESCNC(Cc1cn(C)nn1)c1ccc2c(c1)CCC2
InChIInChI=1S/C15H20N4/c1-16-15(9-14-10-19(2)18-17-14)13-7-6-11-4-3-5-12(11)8-13/h6-8,10,15-16H,3-5,9H2,1-2H3
InChIKeyFDYQZKXTJSGXGY-UHFFFAOYSA-N
MW256.35 g/mol
LogP1.81
Rot. Bonds4

About 1-(2,3-dihydro-1H-inden-5-yl)-N-methyl-2-(1-methyltriazol-4-yl)ethanamine

1-(2,3-dihydro-1H-inden-5-yl)-N-methyl-2-(1-methyltriazol-4-yl)ethanamine (PubChem CID 107063923) has the molecular formula C15H20N4 and a molecular weight of 256.35 g/mol. Its IUPAC name is 1-(2,3-dihydro-1H-inden-5-yl)-N-methyl-2-(1-methyltriazol-4-yl)ethanamine.

Molecular Properties

Compound Name1-(2,3-dihydro-1H-inden-5-yl)-N-methyl-2-(1-methyltriazol-4-yl)ethanamine
PubChem CID107063923
Molecular FormulaC15H20N4
Molecular Weight256.35 g/mol
Exact Mass256.17
IUPAC Name1-(2,3-dihydro-1H-inden-5-yl)-N-methyl-2-(1-methyltriazol-4-yl)ethanamine
SMILESCNC(Cc1cn(C)nn1)c1ccc2c(c1)CCC2
InChIInChI=1S/C15H20N4/c1-16-15(9-14-10-19(2)18-17-14)13-7-6-11-4-3-5-12(11)8-13/h6-8,10,15-16H,3-5,9H2,1-2H3
InChIKeyFDYQZKXTJSGXGY-UHFFFAOYSA-N
XLogP1.81
TPSA42.74 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500256.35
LogP ≤ 51.81
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-[1-(2,3-dihydro-1H-inden-5-yl)-2-(1-methyltriazol-4-yl)ethyl]propan-1-amine
CID 107064185
N-methyl-2-(1-methyltriazol-4-yl)-1-phenylethanamine
CID 107048557
1-(2,3-dihydro-1H-inden-5-yl)-N-methyl-2-(1-propylimidazol-2-yl)ethanamine
CID 105012440
1-(2,3-dihydro-1H-inden-5-yl)-2-(3,4-dimethylphenyl)-N-methylethanamine
CID 63507191
1-(2,3-dihydro-1H-inden-5-yl)-3-methoxy-N-methylbutan-1-amine
CID 114194469
2-(3-chloro-4-pyridinyl)-1-(2,3-dihydro-1H-inden-5-yl)-N-methylethanamine
CID 115984864
2-(5-bromo-3-pyridinyl)-1-(2,3-dihydro-1H-inden-5-yl)-N-methylethanamine
CID 105036828
4-(methylamino)-4-(5,6,7,8-tetrahydronaphthalen-2-yl)butan-1-ol
CID 116952908
4-(2,3-dihydro-1H-inden-5-yl)-4-(methylamino)butanenitrile
CID 116955267
2-cyclobutyl-1-(2,3-dihydro-1H-inden-5-yl)-N-methylethanamine
CID 115863683
1-(2-bromo-5-methylphenyl)-N-methyl-2-(1-methyltriazol-4-yl)ethanamine
CID 107064056
1-ethyl-4-[2-(5,6,7,8-tetrahydronaphthalen-2-yl)butyl]triazole
CID 112718565

Frequently Asked Questions

What is the IUPAC name of 1-(2,3-dihydro-1H-inden-5-yl)-N-methyl-2-(1-methyltriazol-4-yl)ethanamine?
The IUPAC name of 1-(2,3-dihydro-1H-inden-5-yl)-N-methyl-2-(1-methyltriazol-4-yl)ethanamine (CID 107063923) is 1-(2,3-dihydro-1H-inden-5-yl)-N-methyl-2-(1-methyltriazol-4-yl)ethanamine.
What is the SMILES notation for 1-(2,3-dihydro-1H-inden-5-yl)-N-methyl-2-(1-methyltriazol-4-yl)ethanamine?
The canonical SMILES for 1-(2,3-dihydro-1H-inden-5-yl)-N-methyl-2-(1-methyltriazol-4-yl)ethanamine is CNC(Cc1cn(C)nn1)c1ccc2c(c1)CCC2.
What is the InChIKey of 1-(2,3-dihydro-1H-inden-5-yl)-N-methyl-2-(1-methyltriazol-4-yl)ethanamine?
The InChIKey is FDYQZKXTJSGXGY-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20N4/c1-16-15(9-14-10-19(2)18-17-14)13-7-6-11-4-3-5-12(11)8-13/h6-8,10,15-16H,3-5,9H2,1-2H3.
What are the key properties of 1-(2,3-dihydro-1H-inden-5-yl)-N-methyl-2-(1-methyltriazol-4-yl)ethanamine?
1-(2,3-dihydro-1H-inden-5-yl)-N-methyl-2-(1-methyltriazol-4-yl)ethanamine has a molecular weight of 256.35 g/mol, XLogP of 1.81, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2,3-dihydro-1H-inden-5-yl)-N-methyl-2-(1-methyltriazol-4-yl)ethanamine is sourced from PubChem (CID 107063923), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).