2-[1-(2,3-dihydro-1H-inden-5-ylmethyl)imidazol-4-yl]ethanamine

C15H19N3 — CID 79982536

IUPAC2-[1-(2,3-dihydro-1H-inden-5-ylmethyl)imidazol-4-yl]ethanamine
SMILESNCCc1cn(Cc2ccc3c(c2)CCC3)cn1
InChIInChI=1S/C15H19N3/c16-7-6-15-10-18(11-17-15)9-12-4-5-13-2-1-3-14(13)8-12/h4-5,8,10-11H,1-3,6-7,9,16H2
InChIKeyAOVGBESFOVSUDW-UHFFFAOYSA-N
MW241.34 g/mol
LogP1.92
Rot. Bonds4

About 2-[1-(2,3-dihydro-1H-inden-5-ylmethyl)imidazol-4-yl]ethanamine

2-[1-(2,3-dihydro-1H-inden-5-ylmethyl)imidazol-4-yl]ethanamine (PubChem CID 79982536) has the molecular formula C15H19N3 and a molecular weight of 241.34 g/mol. Its IUPAC name is 2-[1-(2,3-dihydro-1H-inden-5-ylmethyl)imidazol-4-yl]ethanamine.

Molecular Properties

Compound Name2-[1-(2,3-dihydro-1H-inden-5-ylmethyl)imidazol-4-yl]ethanamine
PubChem CID79982536
Molecular FormulaC15H19N3
Molecular Weight241.34 g/mol
Exact Mass241.16
IUPAC Name2-[1-(2,3-dihydro-1H-inden-5-ylmethyl)imidazol-4-yl]ethanamine
SMILESNCCc1cn(Cc2ccc3c(c2)CCC3)cn1
InChIInChI=1S/C15H19N3/c16-7-6-15-10-18(11-17-15)9-12-4-5-13-2-1-3-14(13)8-12/h4-5,8,10-11H,1-3,6-7,9,16H2
InChIKeyAOVGBESFOVSUDW-UHFFFAOYSA-N
XLogP1.92
TPSA43.84 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500241.34
LogP ≤ 51.92
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-[1-(2,3-dihydro-1H-inden-5-ylmethyl)imidazol-4-yl]ethanamine?
The IUPAC name of 2-[1-(2,3-dihydro-1H-inden-5-ylmethyl)imidazol-4-yl]ethanamine (CID 79982536) is 2-[1-(2,3-dihydro-1H-inden-5-ylmethyl)imidazol-4-yl]ethanamine.
What is the SMILES notation for 2-[1-(2,3-dihydro-1H-inden-5-ylmethyl)imidazol-4-yl]ethanamine?
The canonical SMILES for 2-[1-(2,3-dihydro-1H-inden-5-ylmethyl)imidazol-4-yl]ethanamine is NCCc1cn(Cc2ccc3c(c2)CCC3)cn1.
What is the InChIKey of 2-[1-(2,3-dihydro-1H-inden-5-ylmethyl)imidazol-4-yl]ethanamine?
The InChIKey is AOVGBESFOVSUDW-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19N3/c16-7-6-15-10-18(11-17-15)9-12-4-5-13-2-1-3-14(13)8-12/h4-5,8,10-11H,1-3,6-7,9,16H2.
What are the key properties of 2-[1-(2,3-dihydro-1H-inden-5-ylmethyl)imidazol-4-yl]ethanamine?
2-[1-(2,3-dihydro-1H-inden-5-ylmethyl)imidazol-4-yl]ethanamine has a molecular weight of 241.34 g/mol, XLogP of 1.92, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1-(2,3-dihydro-1H-inden-5-ylmethyl)imidazol-4-yl]ethanamine is sourced from PubChem (CID 79982536), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).