5-(5-methyl-3-pyridinyl)-2,3-dihydro-1H-inden-1-amine

C15H16N2 — CID 114081094

IUPAC5-(5-methyl-3-pyridinyl)-2,3-dihydro-1H-inden-1-amine
SMILESCc1cncc(-c2ccc3c(c2)CCC3N)c1
InChIInChI=1S/C15H16N2/c1-10-6-13(9-17-8-10)11-2-4-14-12(7-11)3-5-15(14)16/h2,4,6-9,15H,3,5,16H2,1H3
InChIKeyYGTVLQSTVKJKRV-UHFFFAOYSA-N
MW224.31 g/mol
LogP3.00
Rot. Bonds1

About 5-(5-methyl-3-pyridinyl)-2,3-dihydro-1H-inden-1-amine

5-(5-methyl-3-pyridinyl)-2,3-dihydro-1H-inden-1-amine (PubChem CID 114081094) has the molecular formula C15H16N2 and a molecular weight of 224.31 g/mol. Its IUPAC name is 5-(5-methyl-3-pyridinyl)-2,3-dihydro-1H-inden-1-amine.

Molecular Properties

Compound Name5-(5-methyl-3-pyridinyl)-2,3-dihydro-1H-inden-1-amine
PubChem CID114081094
Molecular FormulaC15H16N2
Molecular Weight224.31 g/mol
Exact Mass224.13
IUPAC Name5-(5-methyl-3-pyridinyl)-2,3-dihydro-1H-inden-1-amine
SMILESCc1cncc(-c2ccc3c(c2)CCC3N)c1
InChIInChI=1S/C15H16N2/c1-10-6-13(9-17-8-10)11-2-4-14-12(7-11)3-5-15(14)16/h2,4,6-9,15H,3,5,16H2,1H3
InChIKeyYGTVLQSTVKJKRV-UHFFFAOYSA-N
XLogP3.00
TPSA38.91 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500224.31
LogP ≤ 53.00
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 5-(5-methyl-3-pyridinyl)-2,3-dihydro-1H-inden-1-amine?
The IUPAC name of 5-(5-methyl-3-pyridinyl)-2,3-dihydro-1H-inden-1-amine (CID 114081094) is 5-(5-methyl-3-pyridinyl)-2,3-dihydro-1H-inden-1-amine.
What is the SMILES notation for 5-(5-methyl-3-pyridinyl)-2,3-dihydro-1H-inden-1-amine?
The canonical SMILES for 5-(5-methyl-3-pyridinyl)-2,3-dihydro-1H-inden-1-amine is Cc1cncc(-c2ccc3c(c2)CCC3N)c1.
What is the InChIKey of 5-(5-methyl-3-pyridinyl)-2,3-dihydro-1H-inden-1-amine?
The InChIKey is YGTVLQSTVKJKRV-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H16N2/c1-10-6-13(9-17-8-10)11-2-4-14-12(7-11)3-5-15(14)16/h2,4,6-9,15H,3,5,16H2,1H3.
What are the key properties of 5-(5-methyl-3-pyridinyl)-2,3-dihydro-1H-inden-1-amine?
5-(5-methyl-3-pyridinyl)-2,3-dihydro-1H-inden-1-amine has a molecular weight of 224.31 g/mol, XLogP of 3.00, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(5-methyl-3-pyridinyl)-2,3-dihydro-1H-inden-1-amine is sourced from PubChem (CID 114081094), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).