6-N-(2,3-dihydro-1H-inden-2-yl)-2-N-ethylpyridine-2,6-diamine

C16H19N3 — CID 107855387

IUPAC6-N-(2,3-dihydro-1H-inden-2-yl)-2-N-ethylpyridine-2,6-diamine
SMILESCCNc1cccc(NC2Cc3ccccc3C2)n1
InChIInChI=1S/C16H19N3/c1-2-17-15-8-5-9-16(19-15)18-14-10-12-6-3-4-7-13(12)11-14/h3-9,14H,2,10-11H2,1H3,(H2,17,18,19)
InChIKeyBOCJVJNQZLCZJG-UHFFFAOYSA-N
MW253.35 g/mol
LogP3.09
Rot. Bonds4

About 6-N-(2,3-dihydro-1H-inden-2-yl)-2-N-ethylpyridine-2,6-diamine

6-N-(2,3-dihydro-1H-inden-2-yl)-2-N-ethylpyridine-2,6-diamine (PubChem CID 107855387) has the molecular formula C16H19N3 and a molecular weight of 253.35 g/mol. Its IUPAC name is 6-N-(2,3-dihydro-1H-inden-2-yl)-2-N-ethylpyridine-2,6-diamine.

Molecular Properties

Compound Name6-N-(2,3-dihydro-1H-inden-2-yl)-2-N-ethylpyridine-2,6-diamine
PubChem CID107855387
Molecular FormulaC16H19N3
Molecular Weight253.35 g/mol
Exact Mass253.16
IUPAC Name6-N-(2,3-dihydro-1H-inden-2-yl)-2-N-ethylpyridine-2,6-diamine
SMILESCCNc1cccc(NC2Cc3ccccc3C2)n1
InChIInChI=1S/C16H19N3/c1-2-17-15-8-5-9-16(19-15)18-14-10-12-6-3-4-7-13(12)11-14/h3-9,14H,2,10-11H2,1H3,(H2,17,18,19)
InChIKeyBOCJVJNQZLCZJG-UHFFFAOYSA-N
XLogP3.09
TPSA36.95 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500253.35
LogP ≤ 53.09
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 6-N-(2,3-dihydro-1H-inden-2-yl)-2-N-ethylpyridine-2,6-diamine?
The IUPAC name of 6-N-(2,3-dihydro-1H-inden-2-yl)-2-N-ethylpyridine-2,6-diamine (CID 107855387) is 6-N-(2,3-dihydro-1H-inden-2-yl)-2-N-ethylpyridine-2,6-diamine.
What is the SMILES notation for 6-N-(2,3-dihydro-1H-inden-2-yl)-2-N-ethylpyridine-2,6-diamine?
The canonical SMILES for 6-N-(2,3-dihydro-1H-inden-2-yl)-2-N-ethylpyridine-2,6-diamine is CCNc1cccc(NC2Cc3ccccc3C2)n1.
What is the InChIKey of 6-N-(2,3-dihydro-1H-inden-2-yl)-2-N-ethylpyridine-2,6-diamine?
The InChIKey is BOCJVJNQZLCZJG-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H19N3/c1-2-17-15-8-5-9-16(19-15)18-14-10-12-6-3-4-7-13(12)11-14/h3-9,14H,2,10-11H2,1H3,(H2,17,18,19).
What are the key properties of 6-N-(2,3-dihydro-1H-inden-2-yl)-2-N-ethylpyridine-2,6-diamine?
6-N-(2,3-dihydro-1H-inden-2-yl)-2-N-ethylpyridine-2,6-diamine has a molecular weight of 253.35 g/mol, XLogP of 3.09, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-N-(2,3-dihydro-1H-inden-2-yl)-2-N-ethylpyridine-2,6-diamine is sourced from PubChem (CID 107855387), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).