6-(2,3-dihydroindol-1-ylmethyl)-N-ethylpyridin-2-amine

C16H19N3 — CID 79242706

IUPAC6-(2,3-dihydroindol-1-ylmethyl)-N-ethylpyridin-2-amine
SMILESCCNc1cccc(CN2CCc3ccccc32)n1
InChIInChI=1S/C16H19N3/c1-2-17-16-9-5-7-14(18-16)12-19-11-10-13-6-3-4-8-15(13)19/h3-9H,2,10-12H2,1H3,(H,17,18)
InChIKeyZHGMQAFQFUAWAG-UHFFFAOYSA-N
MW253.35 g/mol
LogP3.08
Rot. Bonds4

About 6-(2,3-dihydroindol-1-ylmethyl)-N-ethylpyridin-2-amine

6-(2,3-dihydroindol-1-ylmethyl)-N-ethylpyridin-2-amine (PubChem CID 79242706) has the molecular formula C16H19N3 and a molecular weight of 253.35 g/mol. Its IUPAC name is 6-(2,3-dihydroindol-1-ylmethyl)-N-ethylpyridin-2-amine.

Molecular Properties

Compound Name6-(2,3-dihydroindol-1-ylmethyl)-N-ethylpyridin-2-amine
PubChem CID79242706
Molecular FormulaC16H19N3
Molecular Weight253.35 g/mol
Exact Mass253.16
IUPAC Name6-(2,3-dihydroindol-1-ylmethyl)-N-ethylpyridin-2-amine
SMILESCCNc1cccc(CN2CCc3ccccc32)n1
InChIInChI=1S/C16H19N3/c1-2-17-16-9-5-7-14(18-16)12-19-11-10-13-6-3-4-8-15(13)19/h3-9H,2,10-12H2,1H3,(H,17,18)
InChIKeyZHGMQAFQFUAWAG-UHFFFAOYSA-N
XLogP3.08
TPSA28.16 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500253.35
LogP ≤ 53.08
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 6-(2,3-dihydroindol-1-ylmethyl)-N-ethylpyridin-2-amine?
The IUPAC name of 6-(2,3-dihydroindol-1-ylmethyl)-N-ethylpyridin-2-amine (CID 79242706) is 6-(2,3-dihydroindol-1-ylmethyl)-N-ethylpyridin-2-amine.
What is the SMILES notation for 6-(2,3-dihydroindol-1-ylmethyl)-N-ethylpyridin-2-amine?
The canonical SMILES for 6-(2,3-dihydroindol-1-ylmethyl)-N-ethylpyridin-2-amine is CCNc1cccc(CN2CCc3ccccc32)n1.
What is the InChIKey of 6-(2,3-dihydroindol-1-ylmethyl)-N-ethylpyridin-2-amine?
The InChIKey is ZHGMQAFQFUAWAG-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H19N3/c1-2-17-16-9-5-7-14(18-16)12-19-11-10-13-6-3-4-8-15(13)19/h3-9H,2,10-12H2,1H3,(H,17,18).
What are the key properties of 6-(2,3-dihydroindol-1-ylmethyl)-N-ethylpyridin-2-amine?
6-(2,3-dihydroindol-1-ylmethyl)-N-ethylpyridin-2-amine has a molecular weight of 253.35 g/mol, XLogP of 3.08, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(2,3-dihydroindol-1-ylmethyl)-N-ethylpyridin-2-amine is sourced from PubChem (CID 79242706), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).