N-ethyl-4-[(3-ethylimidazol-4-yl)methoxy]-2,3-dihydro-1H-inden-1-amine

C17H23N3O — CID 66154709

IUPACN-ethyl-4-[(3-ethylimidazol-4-yl)methoxy]-2,3-dihydro-1H-inden-1-amine
SMILESCCNC1CCc2c(OCc3cncn3CC)cccc21
InChIInChI=1S/C17H23N3O/c1-3-19-16-9-8-15-14(16)6-5-7-17(15)21-11-13-10-18-12-20(13)4-2/h5-7,10,12,16,19H,3-4,8-9,11H2,1-2H3
InChIKeyYPRQFDJJEYKIJK-UHFFFAOYSA-N
MW285.39 g/mol
LogP3.08
Rot. Bonds6

About N-ethyl-4-[(3-ethylimidazol-4-yl)methoxy]-2,3-dihydro-1H-inden-1-amine

N-ethyl-4-[(3-ethylimidazol-4-yl)methoxy]-2,3-dihydro-1H-inden-1-amine (PubChem CID 66154709) has the molecular formula C17H23N3O and a molecular weight of 285.39 g/mol. Its IUPAC name is N-ethyl-4-[(3-ethylimidazol-4-yl)methoxy]-2,3-dihydro-1H-inden-1-amine.

Molecular Properties

Compound NameN-ethyl-4-[(3-ethylimidazol-4-yl)methoxy]-2,3-dihydro-1H-inden-1-amine
PubChem CID66154709
Molecular FormulaC17H23N3O
Molecular Weight285.39 g/mol
Exact Mass285.18
IUPAC NameN-ethyl-4-[(3-ethylimidazol-4-yl)methoxy]-2,3-dihydro-1H-inden-1-amine
SMILESCCNC1CCc2c(OCc3cncn3CC)cccc21
InChIInChI=1S/C17H23N3O/c1-3-19-16-9-8-15-14(16)6-5-7-17(15)21-11-13-10-18-12-20(13)4-2/h5-7,10,12,16,19H,3-4,8-9,11H2,1-2H3
InChIKeyYPRQFDJJEYKIJK-UHFFFAOYSA-N
XLogP3.08
TPSA39.08 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500285.39
LogP ≤ 53.08
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-ethyl-4-[(3-ethylimidazol-4-yl)methoxy]-2,3-dihydro-1H-inden-1-amine?
The IUPAC name of N-ethyl-4-[(3-ethylimidazol-4-yl)methoxy]-2,3-dihydro-1H-inden-1-amine (CID 66154709) is N-ethyl-4-[(3-ethylimidazol-4-yl)methoxy]-2,3-dihydro-1H-inden-1-amine.
What is the SMILES notation for N-ethyl-4-[(3-ethylimidazol-4-yl)methoxy]-2,3-dihydro-1H-inden-1-amine?
The canonical SMILES for N-ethyl-4-[(3-ethylimidazol-4-yl)methoxy]-2,3-dihydro-1H-inden-1-amine is CCNC1CCc2c(OCc3cncn3CC)cccc21.
What is the InChIKey of N-ethyl-4-[(3-ethylimidazol-4-yl)methoxy]-2,3-dihydro-1H-inden-1-amine?
The InChIKey is YPRQFDJJEYKIJK-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H23N3O/c1-3-19-16-9-8-15-14(16)6-5-7-17(15)21-11-13-10-18-12-20(13)4-2/h5-7,10,12,16,19H,3-4,8-9,11H2,1-2H3.
What are the key properties of N-ethyl-4-[(3-ethylimidazol-4-yl)methoxy]-2,3-dihydro-1H-inden-1-amine?
N-ethyl-4-[(3-ethylimidazol-4-yl)methoxy]-2,3-dihydro-1H-inden-1-amine has a molecular weight of 285.39 g/mol, XLogP of 3.08, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-4-[(3-ethylimidazol-4-yl)methoxy]-2,3-dihydro-1H-inden-1-amine is sourced from PubChem (CID 66154709), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).