N-methyl-2-[(1-methyltriazol-4-yl)methyl]-1,2,3,4-tetrahydronaphthalen-1-amine

C15H20N4 — CID 107044649

IUPACN-methyl-2-[(1-methyltriazol-4-yl)methyl]-1,2,3,4-tetrahydronaphthalen-1-amine
SMILESCNC1c2ccccc2CCC1Cc1cn(C)nn1
InChIInChI=1S/C15H20N4/c1-16-15-12(9-13-10-19(2)18-17-13)8-7-11-5-3-4-6-14(11)15/h3-6,10,12,15-16H,7-9H2,1-2H3
InChIKeyJDAJYHSFROJOFF-UHFFFAOYSA-N
MW256.35 g/mol
LogP1.88
Rot. Bonds3

About N-methyl-2-[(1-methyltriazol-4-yl)methyl]-1,2,3,4-tetrahydronaphthalen-1-amine

N-methyl-2-[(1-methyltriazol-4-yl)methyl]-1,2,3,4-tetrahydronaphthalen-1-amine (PubChem CID 107044649) has the molecular formula C15H20N4 and a molecular weight of 256.35 g/mol. Its IUPAC name is N-methyl-2-[(1-methyltriazol-4-yl)methyl]-1,2,3,4-tetrahydronaphthalen-1-amine.

Molecular Properties

Compound NameN-methyl-2-[(1-methyltriazol-4-yl)methyl]-1,2,3,4-tetrahydronaphthalen-1-amine
PubChem CID107044649
Molecular FormulaC15H20N4
Molecular Weight256.35 g/mol
Exact Mass256.17
IUPAC NameN-methyl-2-[(1-methyltriazol-4-yl)methyl]-1,2,3,4-tetrahydronaphthalen-1-amine
SMILESCNC1c2ccccc2CCC1Cc1cn(C)nn1
InChIInChI=1S/C15H20N4/c1-16-15-12(9-13-10-19(2)18-17-13)8-7-11-5-3-4-6-14(11)15/h3-6,10,12,15-16H,7-9H2,1-2H3
InChIKeyJDAJYHSFROJOFF-UHFFFAOYSA-N
XLogP1.88
TPSA42.74 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500256.35
LogP ≤ 51.88
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-methyl-2-[(1-methylpyrazol-4-yl)methyl]-1,2,3,4-tetrahydronaphthalen-1-amine
CID 62126210
2-[(3,5-dimethylphenyl)methyl]-N-methyl-1,2,3,4-tetrahydronaphthalen-1-amine
CID 63399923
2-[(2-chlorophenyl)methyl]-N-methyl-1,2,3,4-tetrahydronaphthalen-1-amine
CID 63400274
N-methyl-2-(1,3-thiazol-5-ylmethyl)-1,2,3,4-tetrahydronaphthalen-1-amine
CID 112641299
2-[(3-chloro-4-fluorophenyl)methyl]-N-methyl-1,2,3,4-tetrahydronaphthalen-1-amine
CID 103038628
N-[1-(2,3-dihydro-1H-inden-1-yl)-2-(1-methyltriazol-4-yl)ethyl]propan-1-amine
CID 107049594
N-methyl-2-(4-methylpentyl)-1,2,3,4-tetrahydronaphthalen-1-amine
CID 83157787
2-(2-ethylsulfanylethyl)-N-methyl-1,2,3,4-tetrahydronaphthalen-1-amine
CID 113473884
2-[(4-bromo-2-fluorophenyl)methyl]-N-methyl-1,2,3,4-tetrahydronaphthalen-1-amine
CID 63399921
N-methyl-2-(2-phenylsulfanylethyl)-1,2,3,4-tetrahydronaphthalen-1-amine
CID 79228511
6-[(4-bromothiophen-2-yl)methyl]-N-methyl-6,7,8,9-tetrahydro-5H-benzo[7]annulen-5-amine
CID 63403773
N-ethyl-2-[2-(1-methylpyrazol-4-yl)ethyl]-1,2,3,4-tetrahydronaphthalen-1-amine
CID 103004433

Frequently Asked Questions

What is the IUPAC name of N-methyl-2-[(1-methyltriazol-4-yl)methyl]-1,2,3,4-tetrahydronaphthalen-1-amine?
The IUPAC name of N-methyl-2-[(1-methyltriazol-4-yl)methyl]-1,2,3,4-tetrahydronaphthalen-1-amine (CID 107044649) is N-methyl-2-[(1-methyltriazol-4-yl)methyl]-1,2,3,4-tetrahydronaphthalen-1-amine.
What is the SMILES notation for N-methyl-2-[(1-methyltriazol-4-yl)methyl]-1,2,3,4-tetrahydronaphthalen-1-amine?
The canonical SMILES for N-methyl-2-[(1-methyltriazol-4-yl)methyl]-1,2,3,4-tetrahydronaphthalen-1-amine is CNC1c2ccccc2CCC1Cc1cn(C)nn1.
What is the InChIKey of N-methyl-2-[(1-methyltriazol-4-yl)methyl]-1,2,3,4-tetrahydronaphthalen-1-amine?
The InChIKey is JDAJYHSFROJOFF-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20N4/c1-16-15-12(9-13-10-19(2)18-17-13)8-7-11-5-3-4-6-14(11)15/h3-6,10,12,15-16H,7-9H2,1-2H3.
What are the key properties of N-methyl-2-[(1-methyltriazol-4-yl)methyl]-1,2,3,4-tetrahydronaphthalen-1-amine?
N-methyl-2-[(1-methyltriazol-4-yl)methyl]-1,2,3,4-tetrahydronaphthalen-1-amine has a molecular weight of 256.35 g/mol, XLogP of 1.88, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-2-[(1-methyltriazol-4-yl)methyl]-1,2,3,4-tetrahydronaphthalen-1-amine is sourced from PubChem (CID 107044649), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).