5-(7,8-dihydroisoquinolin-3-yl)-N,N-dimethylpyridin-3-amine;molecular hydrogen

C16H19N3 — CID 145254822

IUPAC5-(7,8-dihydroisoquinolin-3-yl)-N,N-dimethylpyridin-3-amine;molecular hydrogen
SMILESCN(C)c1cncc(-c2cc3c(cn2)CCC=C3)c1.[H][H]
InChIInChI=1S/C16H17N3.H2/c1-19(2)15-7-14(9-17-11-15)16-8-12-5-3-4-6-13(12)10-18-16;/h3,5,7-11H,4,6H2,1-2H3;1H
InChIKeyABOBQHFJYPOSGI-UHFFFAOYSA-N
MW253.35 g/mol
LogP3.41
Rot. Bonds2

About 5-(7,8-dihydroisoquinolin-3-yl)-N,N-dimethylpyridin-3-amine;molecular hydrogen

5-(7,8-dihydroisoquinolin-3-yl)-N,N-dimethylpyridin-3-amine;molecular hydrogen (PubChem CID 145254822) has the molecular formula C16H19N3 and a molecular weight of 253.35 g/mol. Its IUPAC name is 5-(7,8-dihydroisoquinolin-3-yl)-N,N-dimethylpyridin-3-amine;molecular hydrogen.

Molecular Properties

Compound Name5-(7,8-dihydroisoquinolin-3-yl)-N,N-dimethylpyridin-3-amine;molecular hydrogen
PubChem CID145254822
Molecular FormulaC16H19N3
Molecular Weight253.35 g/mol
Exact Mass253.16
IUPAC Name5-(7,8-dihydroisoquinolin-3-yl)-N,N-dimethylpyridin-3-amine;molecular hydrogen
SMILESCN(C)c1cncc(-c2cc3c(cn2)CCC=C3)c1.[H][H]
InChIInChI=1S/C16H17N3.H2/c1-19(2)15-7-14(9-17-11-15)16-8-12-5-3-4-6-13(12)10-18-16;/h3,5,7-11H,4,6H2,1-2H3;1H
InChIKeyABOBQHFJYPOSGI-UHFFFAOYSA-N
XLogP3.41
TPSA29.02 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500253.35
LogP ≤ 53.41
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 5-(7,8-dihydroisoquinolin-3-yl)-N,N-dimethylpyridin-3-amine;molecular hydrogen?
The IUPAC name of 5-(7,8-dihydroisoquinolin-3-yl)-N,N-dimethylpyridin-3-amine;molecular hydrogen (CID 145254822) is 5-(7,8-dihydroisoquinolin-3-yl)-N,N-dimethylpyridin-3-amine;molecular hydrogen.
What is the SMILES notation for 5-(7,8-dihydroisoquinolin-3-yl)-N,N-dimethylpyridin-3-amine;molecular hydrogen?
The canonical SMILES for 5-(7,8-dihydroisoquinolin-3-yl)-N,N-dimethylpyridin-3-amine;molecular hydrogen is CN(C)c1cncc(-c2cc3c(cn2)CCC=C3)c1.[H][H].
What is the InChIKey of 5-(7,8-dihydroisoquinolin-3-yl)-N,N-dimethylpyridin-3-amine;molecular hydrogen?
The InChIKey is ABOBQHFJYPOSGI-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H17N3.H2/c1-19(2)15-7-14(9-17-11-15)16-8-12-5-3-4-6-13(12)10-18-16;/h3,5,7-11H,4,6H2,1-2H3;1H.
What are the key properties of 5-(7,8-dihydroisoquinolin-3-yl)-N,N-dimethylpyridin-3-amine;molecular hydrogen?
5-(7,8-dihydroisoquinolin-3-yl)-N,N-dimethylpyridin-3-amine;molecular hydrogen has a molecular weight of 253.35 g/mol, XLogP of 3.41, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(7,8-dihydroisoquinolin-3-yl)-N,N-dimethylpyridin-3-amine;molecular hydrogen is sourced from PubChem (CID 145254822), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).