5-(2,3-dihydroisoquinolin-6-yl)-1-methyl-2H-pyridin-3-amine;ethane;N-methylpiperidin-4-amine

C23H37N5 — CID 143967720

IUPAC5-(2,3-dihydroisoquinolin-6-yl)-1-methyl-2H-pyridin-3-amine;ethane;N-methylpiperidin-4-amine
SMILESCC.CN1C=C(c2ccc3c(c2)=CCNC=3)C=C(N)C1.CNC1CCNCC1
InChIInChI=1S/C15H17N3.C6H14N2.C2H6/c1-18-9-14(7-15(16)10-18)11-2-3-13-8-17-5-4-12(13)6-11;1-7-6-2-4-8-5-3-6;1-2/h2-4,6-9,17H,5,10,16H2,1H3;6-8H,2-5H2,1H3;1-2H3
InChIKeyJUGSGFSJXDLXGJ-UHFFFAOYSA-N
MW383.58 g/mol
LogP0.92
Rot. Bonds2

About 5-(2,3-dihydroisoquinolin-6-yl)-1-methyl-2H-pyridin-3-amine;ethane;N-methylpiperidin-4-amine

5-(2,3-dihydroisoquinolin-6-yl)-1-methyl-2H-pyridin-3-amine;ethane;N-methylpiperidin-4-amine (PubChem CID 143967720) has the molecular formula C23H37N5 and a molecular weight of 383.58 g/mol. Its IUPAC name is 5-(2,3-dihydroisoquinolin-6-yl)-1-methyl-2H-pyridin-3-amine;ethane;N-methylpiperidin-4-amine.

Molecular Properties

Compound Name5-(2,3-dihydroisoquinolin-6-yl)-1-methyl-2H-pyridin-3-amine;ethane;N-methylpiperidin-4-amine
PubChem CID143967720
Molecular FormulaC23H37N5
Molecular Weight383.58 g/mol
Exact Mass383.30
IUPAC Name5-(2,3-dihydroisoquinolin-6-yl)-1-methyl-2H-pyridin-3-amine;ethane;N-methylpiperidin-4-amine
SMILESCC.CN1C=C(c2ccc3c(c2)=CCNC=3)C=C(N)C1.CNC1CCNCC1
InChIInChI=1S/C15H17N3.C6H14N2.C2H6/c1-18-9-14(7-15(16)10-18)11-2-3-13-8-17-5-4-12(13)6-11;1-7-6-2-4-8-5-3-6;1-2/h2-4,6-9,17H,5,10,16H2,1H3;6-8H,2-5H2,1H3;1-2H3
InChIKeyJUGSGFSJXDLXGJ-UHFFFAOYSA-N
XLogP0.92
TPSA65.35 Ų
H-Bond Donors4
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500383.58
LogP ≤ 50.92
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 5-(2,3-dihydroisoquinolin-6-yl)-1-methyl-2H-pyridin-3-amine;ethane;N-methylpiperidin-4-amine?
The IUPAC name of 5-(2,3-dihydroisoquinolin-6-yl)-1-methyl-2H-pyridin-3-amine;ethane;N-methylpiperidin-4-amine (CID 143967720) is 5-(2,3-dihydroisoquinolin-6-yl)-1-methyl-2H-pyridin-3-amine;ethane;N-methylpiperidin-4-amine.
What is the SMILES notation for 5-(2,3-dihydroisoquinolin-6-yl)-1-methyl-2H-pyridin-3-amine;ethane;N-methylpiperidin-4-amine?
The canonical SMILES for 5-(2,3-dihydroisoquinolin-6-yl)-1-methyl-2H-pyridin-3-amine;ethane;N-methylpiperidin-4-amine is CC.CN1C=C(c2ccc3c(c2)=CCNC=3)C=C(N)C1.CNC1CCNCC1.
What is the InChIKey of 5-(2,3-dihydroisoquinolin-6-yl)-1-methyl-2H-pyridin-3-amine;ethane;N-methylpiperidin-4-amine?
The InChIKey is JUGSGFSJXDLXGJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H17N3.C6H14N2.C2H6/c1-18-9-14(7-15(16)10-18)11-2-3-13-8-17-5-4-12(13)6-11;1-7-6-2-4-8-5-3-6;1-2/h2-4,6-9,17H,5,10,16H2,1H3;6-8H,2-5H2,1H3;1-2H3.
What are the key properties of 5-(2,3-dihydroisoquinolin-6-yl)-1-methyl-2H-pyridin-3-amine;ethane;N-methylpiperidin-4-amine?
5-(2,3-dihydroisoquinolin-6-yl)-1-methyl-2H-pyridin-3-amine;ethane;N-methylpiperidin-4-amine has a molecular weight of 383.58 g/mol, XLogP of 0.92, 2 rotatable bonds, 4 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(2,3-dihydroisoquinolin-6-yl)-1-methyl-2H-pyridin-3-amine;ethane;N-methylpiperidin-4-amine is sourced from PubChem (CID 143967720), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).