5-[2-(oxan-4-yl)-4-pyridinyl]-2,3-dihydro-1H-inden-4-amine

C19H22N2O — CID 146388614

IUPAC5-[2-(oxan-4-yl)-4-pyridinyl]-2,3-dihydro-1H-inden-4-amine
SMILESNc1c(-c2ccnc(C3CCOCC3)c2)ccc2c1CCC2
InChIInChI=1S/C19H22N2O/c20-19-16-3-1-2-13(16)4-5-17(19)15-6-9-21-18(12-15)14-7-10-22-11-8-14/h4-6,9,12,14H,1-3,7-8,10-11,20H2
InChIKeyIKAWRKWJCULINR-UHFFFAOYSA-N
MW294.40 g/mol
LogP3.71
Rot. Bonds2

About 5-[2-(oxan-4-yl)-4-pyridinyl]-2,3-dihydro-1H-inden-4-amine

5-[2-(oxan-4-yl)-4-pyridinyl]-2,3-dihydro-1H-inden-4-amine (PubChem CID 146388614) has the molecular formula C19H22N2O and a molecular weight of 294.40 g/mol. Its IUPAC name is 5-[2-(oxan-4-yl)-4-pyridinyl]-2,3-dihydro-1H-inden-4-amine.

Molecular Properties

Compound Name5-[2-(oxan-4-yl)-4-pyridinyl]-2,3-dihydro-1H-inden-4-amine
PubChem CID146388614
Molecular FormulaC19H22N2O
Molecular Weight294.40 g/mol
Exact Mass294.17
IUPAC Name5-[2-(oxan-4-yl)-4-pyridinyl]-2,3-dihydro-1H-inden-4-amine
SMILESNc1c(-c2ccnc(C3CCOCC3)c2)ccc2c1CCC2
InChIInChI=1S/C19H22N2O/c20-19-16-3-1-2-13(16)4-5-17(19)15-6-9-21-18(12-15)14-7-10-22-11-8-14/h4-6,9,12,14H,1-3,7-8,10-11,20H2
InChIKeyIKAWRKWJCULINR-UHFFFAOYSA-N
XLogP3.71
TPSA48.14 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500294.40
LogP ≤ 53.71
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aniline', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 5-[2-(oxan-4-yl)-4-pyridinyl]-2,3-dihydro-1H-inden-4-amine?
The IUPAC name of 5-[2-(oxan-4-yl)-4-pyridinyl]-2,3-dihydro-1H-inden-4-amine (CID 146388614) is 5-[2-(oxan-4-yl)-4-pyridinyl]-2,3-dihydro-1H-inden-4-amine.
What is the SMILES notation for 5-[2-(oxan-4-yl)-4-pyridinyl]-2,3-dihydro-1H-inden-4-amine?
The canonical SMILES for 5-[2-(oxan-4-yl)-4-pyridinyl]-2,3-dihydro-1H-inden-4-amine is Nc1c(-c2ccnc(C3CCOCC3)c2)ccc2c1CCC2.
What is the InChIKey of 5-[2-(oxan-4-yl)-4-pyridinyl]-2,3-dihydro-1H-inden-4-amine?
The InChIKey is IKAWRKWJCULINR-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H22N2O/c20-19-16-3-1-2-13(16)4-5-17(19)15-6-9-21-18(12-15)14-7-10-22-11-8-14/h4-6,9,12,14H,1-3,7-8,10-11,20H2.
What are the key properties of 5-[2-(oxan-4-yl)-4-pyridinyl]-2,3-dihydro-1H-inden-4-amine?
5-[2-(oxan-4-yl)-4-pyridinyl]-2,3-dihydro-1H-inden-4-amine has a molecular weight of 294.40 g/mol, XLogP of 3.71, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[2-(oxan-4-yl)-4-pyridinyl]-2,3-dihydro-1H-inden-4-amine is sourced from PubChem (CID 146388614), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).