2-N-(2,3-dihydro-1H-inden-5-yl)-5-methylpyridine-2,4-diamine

C15H17N3 — CID 83265215

IUPAC2-N-(2,3-dihydro-1H-inden-5-yl)-5-methylpyridine-2,4-diamine
SMILESCc1cnc(Nc2ccc3c(c2)CCC3)cc1N
InChIInChI=1S/C15H17N3/c1-10-9-17-15(8-14(10)16)18-13-6-5-11-3-2-4-12(11)7-13/h5-9H,2-4H2,1H3,(H3,16,17,18)
InChIKeyCTDBWNOCKDEFMI-UHFFFAOYSA-N
MW239.32 g/mol
LogP3.20
Rot. Bonds2

About 2-N-(2,3-dihydro-1H-inden-5-yl)-5-methylpyridine-2,4-diamine

2-N-(2,3-dihydro-1H-inden-5-yl)-5-methylpyridine-2,4-diamine (PubChem CID 83265215) has the molecular formula C15H17N3 and a molecular weight of 239.32 g/mol. Its IUPAC name is 2-N-(2,3-dihydro-1H-inden-5-yl)-5-methylpyridine-2,4-diamine.

Molecular Properties

Compound Name2-N-(2,3-dihydro-1H-inden-5-yl)-5-methylpyridine-2,4-diamine
PubChem CID83265215
Molecular FormulaC15H17N3
Molecular Weight239.32 g/mol
Exact Mass239.14
IUPAC Name2-N-(2,3-dihydro-1H-inden-5-yl)-5-methylpyridine-2,4-diamine
SMILESCc1cnc(Nc2ccc3c(c2)CCC3)cc1N
InChIInChI=1S/C15H17N3/c1-10-9-17-15(8-14(10)16)18-13-6-5-11-3-2-4-12(11)7-13/h5-9H,2-4H2,1H3,(H3,16,17,18)
InChIKeyCTDBWNOCKDEFMI-UHFFFAOYSA-N
XLogP3.20
TPSA50.94 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500239.32
LogP ≤ 53.20
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-N-(2,3-dihydro-1H-inden-5-yl)-5-methylpyridine-2,4-diamine?
The IUPAC name of 2-N-(2,3-dihydro-1H-inden-5-yl)-5-methylpyridine-2,4-diamine (CID 83265215) is 2-N-(2,3-dihydro-1H-inden-5-yl)-5-methylpyridine-2,4-diamine.
What is the SMILES notation for 2-N-(2,3-dihydro-1H-inden-5-yl)-5-methylpyridine-2,4-diamine?
The canonical SMILES for 2-N-(2,3-dihydro-1H-inden-5-yl)-5-methylpyridine-2,4-diamine is Cc1cnc(Nc2ccc3c(c2)CCC3)cc1N.
What is the InChIKey of 2-N-(2,3-dihydro-1H-inden-5-yl)-5-methylpyridine-2,4-diamine?
The InChIKey is CTDBWNOCKDEFMI-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H17N3/c1-10-9-17-15(8-14(10)16)18-13-6-5-11-3-2-4-12(11)7-13/h5-9H,2-4H2,1H3,(H3,16,17,18).
What are the key properties of 2-N-(2,3-dihydro-1H-inden-5-yl)-5-methylpyridine-2,4-diamine?
2-N-(2,3-dihydro-1H-inden-5-yl)-5-methylpyridine-2,4-diamine has a molecular weight of 239.32 g/mol, XLogP of 3.20, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-N-(2,3-dihydro-1H-inden-5-yl)-5-methylpyridine-2,4-diamine is sourced from PubChem (CID 83265215), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).