N-(pyridin-4-ylmethyl)-2,3-dihydro-1H-inden-5-amine

C15H16N2 — CID 783894

IUPACN-(pyridin-4-ylmethyl)-2,3-dihydro-1H-inden-5-amine
SMILESc1cc(CNc2ccc3c(c2)CCC3)ccn1
InChIInChI=1S/C15H16N2/c1-2-13-4-5-15(10-14(13)3-1)17-11-12-6-8-16-9-7-12/h4-10,17H,1-3,11H2
InChIKeyKNRXTGNJGMNAQQ-UHFFFAOYSA-N
MW224.31 g/mol
LogP3.18
Rot. Bonds3

About N-(pyridin-4-ylmethyl)-2,3-dihydro-1H-inden-5-amine

N-(pyridin-4-ylmethyl)-2,3-dihydro-1H-inden-5-amine (PubChem CID 783894) has the molecular formula C15H16N2 and a molecular weight of 224.31 g/mol. Its IUPAC name is N-(pyridin-4-ylmethyl)-2,3-dihydro-1H-inden-5-amine.

Molecular Properties

Compound NameN-(pyridin-4-ylmethyl)-2,3-dihydro-1H-inden-5-amine
PubChem CID783894
Molecular FormulaC15H16N2
Molecular Weight224.31 g/mol
Exact Mass224.13
IUPAC NameN-(pyridin-4-ylmethyl)-2,3-dihydro-1H-inden-5-amine
SMILESc1cc(CNc2ccc3c(c2)CCC3)ccn1
InChIInChI=1S/C15H16N2/c1-2-13-4-5-15(10-14(13)3-1)17-11-12-6-8-16-9-7-12/h4-10,17H,1-3,11H2
InChIKeyKNRXTGNJGMNAQQ-UHFFFAOYSA-N
XLogP3.18
TPSA24.92 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500224.31
LogP ≤ 53.18
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of N-(pyridin-4-ylmethyl)-2,3-dihydro-1H-inden-5-amine?
The IUPAC name of N-(pyridin-4-ylmethyl)-2,3-dihydro-1H-inden-5-amine (CID 783894) is N-(pyridin-4-ylmethyl)-2,3-dihydro-1H-inden-5-amine.
What is the SMILES notation for N-(pyridin-4-ylmethyl)-2,3-dihydro-1H-inden-5-amine?
The canonical SMILES for N-(pyridin-4-ylmethyl)-2,3-dihydro-1H-inden-5-amine is c1cc(CNc2ccc3c(c2)CCC3)ccn1.
What is the InChIKey of N-(pyridin-4-ylmethyl)-2,3-dihydro-1H-inden-5-amine?
The InChIKey is KNRXTGNJGMNAQQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H16N2/c1-2-13-4-5-15(10-14(13)3-1)17-11-12-6-8-16-9-7-12/h4-10,17H,1-3,11H2.
What are the key properties of N-(pyridin-4-ylmethyl)-2,3-dihydro-1H-inden-5-amine?
N-(pyridin-4-ylmethyl)-2,3-dihydro-1H-inden-5-amine has a molecular weight of 224.31 g/mol, XLogP of 3.18, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(pyridin-4-ylmethyl)-2,3-dihydro-1H-inden-5-amine is sourced from PubChem (CID 783894), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).