6-[2-(3,4-dihydro-1H-isoquinolin-2-yl)ethyl]pyridin-3-amine

C16H19N3 — CID 107339976

IUPAC6-[2-(3,4-dihydro-1H-isoquinolin-2-yl)ethyl]pyridin-3-amine
SMILESNc1ccc(CCN2CCc3ccccc3C2)nc1
InChIInChI=1S/C16H19N3/c17-15-5-6-16(18-11-15)8-10-19-9-7-13-3-1-2-4-14(13)12-19/h1-6,11H,7-10,12,17H2
InChIKeySWGVSAXRNYMLST-UHFFFAOYSA-N
MW253.35 g/mol
LogP2.26
Rot. Bonds3

About 6-[2-(3,4-dihydro-1H-isoquinolin-2-yl)ethyl]pyridin-3-amine

6-[2-(3,4-dihydro-1H-isoquinolin-2-yl)ethyl]pyridin-3-amine (PubChem CID 107339976) has the molecular formula C16H19N3 and a molecular weight of 253.35 g/mol. Its IUPAC name is 6-[2-(3,4-dihydro-1H-isoquinolin-2-yl)ethyl]pyridin-3-amine.

Molecular Properties

Compound Name6-[2-(3,4-dihydro-1H-isoquinolin-2-yl)ethyl]pyridin-3-amine
PubChem CID107339976
Molecular FormulaC16H19N3
Molecular Weight253.35 g/mol
Exact Mass253.16
IUPAC Name6-[2-(3,4-dihydro-1H-isoquinolin-2-yl)ethyl]pyridin-3-amine
SMILESNc1ccc(CCN2CCc3ccccc3C2)nc1
InChIInChI=1S/C16H19N3/c17-15-5-6-16(18-11-15)8-10-19-9-7-13-3-1-2-4-14(13)12-19/h1-6,11H,7-10,12,17H2
InChIKeySWGVSAXRNYMLST-UHFFFAOYSA-N
XLogP2.26
TPSA42.15 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500253.35
LogP ≤ 52.26
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 6-[2-(3,4-dihydro-1H-isoquinolin-2-yl)ethyl]pyridin-3-amine?
The IUPAC name of 6-[2-(3,4-dihydro-1H-isoquinolin-2-yl)ethyl]pyridin-3-amine (CID 107339976) is 6-[2-(3,4-dihydro-1H-isoquinolin-2-yl)ethyl]pyridin-3-amine.
What is the SMILES notation for 6-[2-(3,4-dihydro-1H-isoquinolin-2-yl)ethyl]pyridin-3-amine?
The canonical SMILES for 6-[2-(3,4-dihydro-1H-isoquinolin-2-yl)ethyl]pyridin-3-amine is Nc1ccc(CCN2CCc3ccccc3C2)nc1.
What is the InChIKey of 6-[2-(3,4-dihydro-1H-isoquinolin-2-yl)ethyl]pyridin-3-amine?
The InChIKey is SWGVSAXRNYMLST-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H19N3/c17-15-5-6-16(18-11-15)8-10-19-9-7-13-3-1-2-4-14(13)12-19/h1-6,11H,7-10,12,17H2.
What are the key properties of 6-[2-(3,4-dihydro-1H-isoquinolin-2-yl)ethyl]pyridin-3-amine?
6-[2-(3,4-dihydro-1H-isoquinolin-2-yl)ethyl]pyridin-3-amine has a molecular weight of 253.35 g/mol, XLogP of 2.26, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[2-(3,4-dihydro-1H-isoquinolin-2-yl)ethyl]pyridin-3-amine is sourced from PubChem (CID 107339976), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).