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

C15H16N2 — CID 3696540

IUPACN-(pyridin-3-ylmethyl)-2,3-dihydro-1H-inden-5-amine
SMILESc1cncc(CNc2ccc3c(c2)CCC3)c1
InChIInChI=1S/C15H16N2/c1-4-13-6-7-15(9-14(13)5-1)17-11-12-3-2-8-16-10-12/h2-3,6-10,17H,1,4-5,11H2
InChIKeySSEMAFCPUJJMQZ-UHFFFAOYSA-N
MW224.31 g/mol
LogP3.18
Rot. Bonds3

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

N-(pyridin-3-ylmethyl)-2,3-dihydro-1H-inden-5-amine (PubChem CID 3696540) has the molecular formula C15H16N2 and a molecular weight of 224.31 g/mol. Its IUPAC name is N-(pyridin-3-ylmethyl)-2,3-dihydro-1H-inden-5-amine.

Molecular Properties

Compound NameN-(pyridin-3-ylmethyl)-2,3-dihydro-1H-inden-5-amine
PubChem CID3696540
Molecular FormulaC15H16N2
Molecular Weight224.31 g/mol
Exact Mass224.13
IUPAC NameN-(pyridin-3-ylmethyl)-2,3-dihydro-1H-inden-5-amine
SMILESc1cncc(CNc2ccc3c(c2)CCC3)c1
InChIInChI=1S/C15H16N2/c1-4-13-6-7-15(9-14(13)5-1)17-11-12-3-2-8-16-10-12/h2-3,6-10,17H,1,4-5,11H2
InChIKeySSEMAFCPUJJMQZ-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-3-ylmethyl)-2,3-dihydro-1H-inden-5-amine?
The IUPAC name of N-(pyridin-3-ylmethyl)-2,3-dihydro-1H-inden-5-amine (CID 3696540) is N-(pyridin-3-ylmethyl)-2,3-dihydro-1H-inden-5-amine.
What is the SMILES notation for N-(pyridin-3-ylmethyl)-2,3-dihydro-1H-inden-5-amine?
The canonical SMILES for N-(pyridin-3-ylmethyl)-2,3-dihydro-1H-inden-5-amine is c1cncc(CNc2ccc3c(c2)CCC3)c1.
What is the InChIKey of N-(pyridin-3-ylmethyl)-2,3-dihydro-1H-inden-5-amine?
The InChIKey is SSEMAFCPUJJMQZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H16N2/c1-4-13-6-7-15(9-14(13)5-1)17-11-12-3-2-8-16-10-12/h2-3,6-10,17H,1,4-5,11H2.
What are the key properties of N-(pyridin-3-ylmethyl)-2,3-dihydro-1H-inden-5-amine?
N-(pyridin-3-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-3-ylmethyl)-2,3-dihydro-1H-inden-5-amine is sourced from PubChem (CID 3696540), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).