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

C15H20N4 — CID 114688144

IUPACN-[2,3-dihydro-1H-inden-1-yl-(3-methyltriazol-4-yl)methyl]ethanamine
SMILESCCNC(c1cnnn1C)C1CCc2ccccc21
InChIInChI=1S/C15H20N4/c1-3-16-15(14-10-17-18-19(14)2)13-9-8-11-6-4-5-7-12(11)13/h4-7,10,13,15-16H,3,8-9H2,1-2H3
InChIKeyDFGUVNCDFJZKNA-UHFFFAOYSA-N
MW256.35 g/mol
LogP2.20
Rot. Bonds4

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

N-[2,3-dihydro-1H-inden-1-yl-(3-methyltriazol-4-yl)methyl]ethanamine (PubChem CID 114688144) has the molecular formula C15H20N4 and a molecular weight of 256.35 g/mol. Its IUPAC name is N-[2,3-dihydro-1H-inden-1-yl-(3-methyltriazol-4-yl)methyl]ethanamine.

Molecular Properties

Compound NameN-[2,3-dihydro-1H-inden-1-yl-(3-methyltriazol-4-yl)methyl]ethanamine
PubChem CID114688144
Molecular FormulaC15H20N4
Molecular Weight256.35 g/mol
Exact Mass256.17
IUPAC NameN-[2,3-dihydro-1H-inden-1-yl-(3-methyltriazol-4-yl)methyl]ethanamine
SMILESCCNC(c1cnnn1C)C1CCc2ccccc21
InChIInChI=1S/C15H20N4/c1-3-16-15(14-10-17-18-19(14)2)13-9-8-11-6-4-5-7-12(11)13/h4-7,10,13,15-16H,3,8-9H2,1-2H3
InChIKeyDFGUVNCDFJZKNA-UHFFFAOYSA-N
XLogP2.20
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 ≤ 52.20
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-[2,3-dihydro-1H-inden-1-yl-(1-methylpyrazol-3-yl)methyl]ethanamine
CID 103130973
N-[3,4-dihydro-1H-isochromen-1-yl-(3-methyltriazol-4-yl)methyl]propan-1-amine
CID 105184735
N-[(3,4-dichlorophenyl)-(2,3-dihydro-1H-inden-1-yl)methyl]ethanamine
CID 65404174
N-[(2-methylcyclopentyl)-(3-methyltriazol-4-yl)methyl]ethanamine
CID 107191060
N-[(4,4-dimethylcyclohexyl)-(3-methyltriazol-4-yl)methyl]ethanamine
CID 114688067
N-[2,3-dihydro-1H-inden-1-yl-(4-methoxyphenyl)methyl]ethanamine
CID 65404758
N-[(3-chlorophenyl)-(2,3-dihydro-1H-inden-1-yl)methyl]ethanamine
CID 65405344
N-[(3-methyltriazol-4-yl)-(thiolan-2-yl)methyl]ethanamine
CID 114688768
1a,2,3,7b-tetrahydro-1H-cyclopropa[a]naphthalen-1-yl-(3-methyltriazol-4-yl)methanol
CID 115835997
N-[(4-bromophenyl)-(1,2,3,4-tetrahydronaphthalen-1-yl)methyl]ethanamine
CID 63509295
N-[(3-methyltriazol-4-yl)-(oxan-2-yl)methyl]ethanamine
CID 105043621
N-[2,3-dihydro-1H-inden-1-yl-(4-fluoro-3-methylphenyl)methyl]ethanamine
CID 65403782

Frequently Asked Questions

What is the IUPAC name of N-[2,3-dihydro-1H-inden-1-yl-(3-methyltriazol-4-yl)methyl]ethanamine?
The IUPAC name of N-[2,3-dihydro-1H-inden-1-yl-(3-methyltriazol-4-yl)methyl]ethanamine (CID 114688144) is N-[2,3-dihydro-1H-inden-1-yl-(3-methyltriazol-4-yl)methyl]ethanamine.
What is the SMILES notation for N-[2,3-dihydro-1H-inden-1-yl-(3-methyltriazol-4-yl)methyl]ethanamine?
The canonical SMILES for N-[2,3-dihydro-1H-inden-1-yl-(3-methyltriazol-4-yl)methyl]ethanamine is CCNC(c1cnnn1C)C1CCc2ccccc21.
What is the InChIKey of N-[2,3-dihydro-1H-inden-1-yl-(3-methyltriazol-4-yl)methyl]ethanamine?
The InChIKey is DFGUVNCDFJZKNA-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20N4/c1-3-16-15(14-10-17-18-19(14)2)13-9-8-11-6-4-5-7-12(11)13/h4-7,10,13,15-16H,3,8-9H2,1-2H3.
What are the key properties of N-[2,3-dihydro-1H-inden-1-yl-(3-methyltriazol-4-yl)methyl]ethanamine?
N-[2,3-dihydro-1H-inden-1-yl-(3-methyltriazol-4-yl)methyl]ethanamine has a molecular weight of 256.35 g/mol, XLogP of 2.20, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2,3-dihydro-1H-inden-1-yl-(3-methyltriazol-4-yl)methyl]ethanamine is sourced from PubChem (CID 114688144), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).