5-[(3-cyclopropylimidazol-4-yl)methoxy]-N-methyl-2,3-dihydro-1H-inden-1-amine

C17H21N3O — CID 107683380

IUPAC5-[(3-cyclopropylimidazol-4-yl)methoxy]-N-methyl-2,3-dihydro-1H-inden-1-amine
SMILESCNC1CCc2cc(OCc3cncn3C3CC3)ccc21
InChIInChI=1S/C17H21N3O/c1-18-17-7-2-12-8-15(5-6-16(12)17)21-10-14-9-19-11-20(14)13-3-4-13/h5-6,8-9,11,13,17-18H,2-4,7,10H2,1H3
InChIKeyUHWFRFVUEDUSPV-UHFFFAOYSA-N
MW283.38 g/mol
LogP3.00
Rot. Bonds5

About 5-[(3-cyclopropylimidazol-4-yl)methoxy]-N-methyl-2,3-dihydro-1H-inden-1-amine

5-[(3-cyclopropylimidazol-4-yl)methoxy]-N-methyl-2,3-dihydro-1H-inden-1-amine (PubChem CID 107683380) has the molecular formula C17H21N3O and a molecular weight of 283.38 g/mol. Its IUPAC name is 5-[(3-cyclopropylimidazol-4-yl)methoxy]-N-methyl-2,3-dihydro-1H-inden-1-amine.

Molecular Properties

Compound Name5-[(3-cyclopropylimidazol-4-yl)methoxy]-N-methyl-2,3-dihydro-1H-inden-1-amine
PubChem CID107683380
Molecular FormulaC17H21N3O
Molecular Weight283.38 g/mol
Exact Mass283.17
IUPAC Name5-[(3-cyclopropylimidazol-4-yl)methoxy]-N-methyl-2,3-dihydro-1H-inden-1-amine
SMILESCNC1CCc2cc(OCc3cncn3C3CC3)ccc21
InChIInChI=1S/C17H21N3O/c1-18-17-7-2-12-8-15(5-6-16(12)17)21-10-14-9-19-11-20(14)13-3-4-13/h5-6,8-9,11,13,17-18H,2-4,7,10H2,1H3
InChIKeyUHWFRFVUEDUSPV-UHFFFAOYSA-N
XLogP3.00
TPSA39.08 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.38
LogP ≤ 53.00
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 5-[(3-cyclopropylimidazol-4-yl)methoxy]-N-methyl-2,3-dihydro-1H-inden-1-amine?
The IUPAC name of 5-[(3-cyclopropylimidazol-4-yl)methoxy]-N-methyl-2,3-dihydro-1H-inden-1-amine (CID 107683380) is 5-[(3-cyclopropylimidazol-4-yl)methoxy]-N-methyl-2,3-dihydro-1H-inden-1-amine.
What is the SMILES notation for 5-[(3-cyclopropylimidazol-4-yl)methoxy]-N-methyl-2,3-dihydro-1H-inden-1-amine?
The canonical SMILES for 5-[(3-cyclopropylimidazol-4-yl)methoxy]-N-methyl-2,3-dihydro-1H-inden-1-amine is CNC1CCc2cc(OCc3cncn3C3CC3)ccc21.
What is the InChIKey of 5-[(3-cyclopropylimidazol-4-yl)methoxy]-N-methyl-2,3-dihydro-1H-inden-1-amine?
The InChIKey is UHWFRFVUEDUSPV-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H21N3O/c1-18-17-7-2-12-8-15(5-6-16(12)17)21-10-14-9-19-11-20(14)13-3-4-13/h5-6,8-9,11,13,17-18H,2-4,7,10H2,1H3.
What are the key properties of 5-[(3-cyclopropylimidazol-4-yl)methoxy]-N-methyl-2,3-dihydro-1H-inden-1-amine?
5-[(3-cyclopropylimidazol-4-yl)methoxy]-N-methyl-2,3-dihydro-1H-inden-1-amine has a molecular weight of 283.38 g/mol, XLogP of 3.00, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[(3-cyclopropylimidazol-4-yl)methoxy]-N-methyl-2,3-dihydro-1H-inden-1-amine is sourced from PubChem (CID 107683380), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).