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

C17H24N4 — CID 114688139

IUPACN-[2,3-dihydro-1H-inden-2-yl-(3-propyltriazol-4-yl)methyl]ethanamine
SMILESCCCn1nncc1C(NCC)C1Cc2ccccc2C1
InChIInChI=1S/C17H24N4/c1-3-9-21-16(12-19-20-21)17(18-4-2)15-10-13-7-5-6-8-14(13)11-15/h5-8,12,15,17-18H,3-4,9-11H2,1-2H3
InChIKeyQNQQUNKZYKBQRC-UHFFFAOYSA-N
MW284.41 g/mol
LogP2.75
Rot. Bonds6

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

N-[2,3-dihydro-1H-inden-2-yl-(3-propyltriazol-4-yl)methyl]ethanamine (PubChem CID 114688139) has the molecular formula C17H24N4 and a molecular weight of 284.41 g/mol. Its IUPAC name is N-[2,3-dihydro-1H-inden-2-yl-(3-propyltriazol-4-yl)methyl]ethanamine.

Molecular Properties

Compound NameN-[2,3-dihydro-1H-inden-2-yl-(3-propyltriazol-4-yl)methyl]ethanamine
PubChem CID114688139
Molecular FormulaC17H24N4
Molecular Weight284.41 g/mol
Exact Mass284.20
IUPAC NameN-[2,3-dihydro-1H-inden-2-yl-(3-propyltriazol-4-yl)methyl]ethanamine
SMILESCCCn1nncc1C(NCC)C1Cc2ccccc2C1
InChIInChI=1S/C17H24N4/c1-3-9-21-16(12-19-20-21)17(18-4-2)15-10-13-7-5-6-8-14(13)11-15/h5-8,12,15,17-18H,3-4,9-11H2,1-2H3
InChIKeyQNQQUNKZYKBQRC-UHFFFAOYSA-N
XLogP2.75
TPSA42.74 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.41
LogP ≤ 52.75
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

[7-bicyclo[4.2.0]octa-1,3,5-trienyl-(3-propyltriazol-4-yl)methyl]hydrazine
CID 105224717
N-[(4-methylcyclohexyl)-(3-propyltriazol-4-yl)methyl]propan-1-amine
CID 114687454
N-[cyclohexyl-(3-propyltriazol-4-yl)methyl]propan-1-amine
CID 114687200
N-[(3-propyltriazol-4-yl)-(thiolan-2-yl)methyl]ethanamine
CID 114688770
N-[(1,4-dimethylpiperazin-2-yl)-(3-propyltriazol-4-yl)methyl]ethanamine
CID 114688546
2-cyclopropyl-N-ethyl-1-(3-propyltriazol-4-yl)propan-1-amine
CID 105038639
N-[(4-methylmorpholin-2-yl)-(3-propyltriazol-4-yl)methyl]ethanamine
CID 114688442
[cyclooctyl-(3-propyltriazol-4-yl)methyl]hydrazine
CID 105255083
3-cyclopentyl-N-ethyl-1-(3-propyltriazol-4-yl)propan-1-amine
CID 105038705
2-cyclopropyl-2-ethoxy-N-ethyl-1-(3-propyltriazol-4-yl)ethanamine
CID 114689223
N-ethyl-1-(3-propyltriazol-4-yl)pentan-1-amine
CID 114688493
N-ethyl-3-(2-methylphenyl)-1-(3-propyltriazol-4-yl)propan-1-amine
CID 105182279

Frequently Asked Questions

What is the IUPAC name of N-[2,3-dihydro-1H-inden-2-yl-(3-propyltriazol-4-yl)methyl]ethanamine?
The IUPAC name of N-[2,3-dihydro-1H-inden-2-yl-(3-propyltriazol-4-yl)methyl]ethanamine (CID 114688139) is N-[2,3-dihydro-1H-inden-2-yl-(3-propyltriazol-4-yl)methyl]ethanamine.
What is the SMILES notation for N-[2,3-dihydro-1H-inden-2-yl-(3-propyltriazol-4-yl)methyl]ethanamine?
The canonical SMILES for N-[2,3-dihydro-1H-inden-2-yl-(3-propyltriazol-4-yl)methyl]ethanamine is CCCn1nncc1C(NCC)C1Cc2ccccc2C1.
What is the InChIKey of N-[2,3-dihydro-1H-inden-2-yl-(3-propyltriazol-4-yl)methyl]ethanamine?
The InChIKey is QNQQUNKZYKBQRC-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H24N4/c1-3-9-21-16(12-19-20-21)17(18-4-2)15-10-13-7-5-6-8-14(13)11-15/h5-8,12,15,17-18H,3-4,9-11H2,1-2H3.
What are the key properties of N-[2,3-dihydro-1H-inden-2-yl-(3-propyltriazol-4-yl)methyl]ethanamine?
N-[2,3-dihydro-1H-inden-2-yl-(3-propyltriazol-4-yl)methyl]ethanamine has a molecular weight of 284.41 g/mol, XLogP of 2.75, 6 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-2-yl-(3-propyltriazol-4-yl)methyl]ethanamine is sourced from PubChem (CID 114688139), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).