N-[(3-methoxyoxolan-3-yl)methyl]-2,3-dihydro-1H-inden-1-amine

C15H21NO2 — CID 113443436

IUPACN-[(3-methoxyoxolan-3-yl)methyl]-2,3-dihydro-1H-inden-1-amine
SMILESCOC1(CNC2CCc3ccccc32)CCOC1
InChIInChI=1S/C15H21NO2/c1-17-15(8-9-18-11-15)10-16-14-7-6-12-4-2-3-5-13(12)14/h2-5,14,16H,6-11H2,1H3
InChIKeySTTBPCFPQMZZGI-UHFFFAOYSA-N
MW247.34 g/mol
LogP2.07
Rot. Bonds4

About N-[(3-methoxyoxolan-3-yl)methyl]-2,3-dihydro-1H-inden-1-amine

N-[(3-methoxyoxolan-3-yl)methyl]-2,3-dihydro-1H-inden-1-amine (PubChem CID 113443436) has the molecular formula C15H21NO2 and a molecular weight of 247.34 g/mol. Its IUPAC name is N-[(3-methoxyoxolan-3-yl)methyl]-2,3-dihydro-1H-inden-1-amine.

Molecular Properties

Compound NameN-[(3-methoxyoxolan-3-yl)methyl]-2,3-dihydro-1H-inden-1-amine
PubChem CID113443436
Molecular FormulaC15H21NO2
Molecular Weight247.34 g/mol
Exact Mass247.16
IUPAC NameN-[(3-methoxyoxolan-3-yl)methyl]-2,3-dihydro-1H-inden-1-amine
SMILESCOC1(CNC2CCc3ccccc32)CCOC1
InChIInChI=1S/C15H21NO2/c1-17-15(8-9-18-11-15)10-16-14-7-6-12-4-2-3-5-13(12)14/h2-5,14,16H,6-11H2,1H3
InChIKeySTTBPCFPQMZZGI-UHFFFAOYSA-N
XLogP2.07
TPSA30.49 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500247.34
LogP ≤ 52.07
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-[(3-methoxyoxolan-3-yl)methyl]-2,3-dihydro-1H-inden-1-amine?
The IUPAC name of N-[(3-methoxyoxolan-3-yl)methyl]-2,3-dihydro-1H-inden-1-amine (CID 113443436) is N-[(3-methoxyoxolan-3-yl)methyl]-2,3-dihydro-1H-inden-1-amine.
What is the SMILES notation for N-[(3-methoxyoxolan-3-yl)methyl]-2,3-dihydro-1H-inden-1-amine?
The canonical SMILES for N-[(3-methoxyoxolan-3-yl)methyl]-2,3-dihydro-1H-inden-1-amine is COC1(CNC2CCc3ccccc32)CCOC1.
What is the InChIKey of N-[(3-methoxyoxolan-3-yl)methyl]-2,3-dihydro-1H-inden-1-amine?
The InChIKey is STTBPCFPQMZZGI-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21NO2/c1-17-15(8-9-18-11-15)10-16-14-7-6-12-4-2-3-5-13(12)14/h2-5,14,16H,6-11H2,1H3.
What are the key properties of N-[(3-methoxyoxolan-3-yl)methyl]-2,3-dihydro-1H-inden-1-amine?
N-[(3-methoxyoxolan-3-yl)methyl]-2,3-dihydro-1H-inden-1-amine has a molecular weight of 247.34 g/mol, XLogP of 2.07, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(3-methoxyoxolan-3-yl)methyl]-2,3-dihydro-1H-inden-1-amine is sourced from PubChem (CID 113443436), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).