6-(1,2,3,6-tetrahydropyridin-4-yl)-4-(5,5,8,8-tetramethyl-6,7-dihydronaphthalen-2-yl)-1,2-dihydropyridine;dihydrochloride

C24H34Cl2N2 — CID 67616689

IUPAC6-(1,2,3,6-tetrahydropyridin-4-yl)-4-(5,5,8,8-tetramethyl-6,7-dihydronaphthalen-2-yl)-1,2-dihydropyridine;dihydrochloride
SMILESCC1(C)CCC(C)(C)c2cc(C3=CCNC(C4=CCNCC4)=C3)ccc21.Cl.Cl
InChIInChI=1S/C24H32N2.2ClH/c1-23(2)10-11-24(3,4)21-15-18(5-6-20(21)23)19-9-14-26-22(16-19)17-7-12-25-13-8-17;;/h5-7,9,15-16,25-26H,8,10-14H2,1-4H3;2*1H
InChIKeyAIYMSWBDIYBERN-UHFFFAOYSA-N
MW421.46 g/mol
LogP5.67
Rot. Bonds2

About 6-(1,2,3,6-tetrahydropyridin-4-yl)-4-(5,5,8,8-tetramethyl-6,7-dihydronaphthalen-2-yl)-1,2-dihydropyridine;dihydrochloride

6-(1,2,3,6-tetrahydropyridin-4-yl)-4-(5,5,8,8-tetramethyl-6,7-dihydronaphthalen-2-yl)-1,2-dihydropyridine;dihydrochloride (PubChem CID 67616689) has the molecular formula C24H34Cl2N2 and a molecular weight of 421.46 g/mol. Its IUPAC name is 6-(1,2,3,6-tetrahydropyridin-4-yl)-4-(5,5,8,8-tetramethyl-6,7-dihydronaphthalen-2-yl)-1,2-dihydropyridine;dihydrochloride.

Molecular Properties

Compound Name6-(1,2,3,6-tetrahydropyridin-4-yl)-4-(5,5,8,8-tetramethyl-6,7-dihydronaphthalen-2-yl)-1,2-dihydropyridine;dihydrochloride
PubChem CID67616689
Molecular FormulaC24H34Cl2N2
Molecular Weight421.46 g/mol
Exact Mass420.21
IUPAC Name6-(1,2,3,6-tetrahydropyridin-4-yl)-4-(5,5,8,8-tetramethyl-6,7-dihydronaphthalen-2-yl)-1,2-dihydropyridine;dihydrochloride
SMILESCC1(C)CCC(C)(C)c2cc(C3=CCNC(C4=CCNCC4)=C3)ccc21.Cl.Cl
InChIInChI=1S/C24H32N2.2ClH/c1-23(2)10-11-24(3,4)21-15-18(5-6-20(21)23)19-9-14-26-22(16-19)17-7-12-25-13-8-17;;/h5-7,9,15-16,25-26H,8,10-14H2,1-4H3;2*1H
InChIKeyAIYMSWBDIYBERN-UHFFFAOYSA-N
XLogP5.67
TPSA24.06 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500421.46
LogP ≤ 55.67
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Analyze 6-(1,2,3,6-tetrahydropyridin-4-yl)-4-(5,5,8,8-tetramethyl-6,7-dihydronaphthalen-2-yl)-1,2-dihydropyridine;dihydrochloride with MolForge

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Frequently Asked Questions

What is the IUPAC name of 6-(1,2,3,6-tetrahydropyridin-4-yl)-4-(5,5,8,8-tetramethyl-6,7-dihydronaphthalen-2-yl)-1,2-dihydropyridine;dihydrochloride?
The IUPAC name of 6-(1,2,3,6-tetrahydropyridin-4-yl)-4-(5,5,8,8-tetramethyl-6,7-dihydronaphthalen-2-yl)-1,2-dihydropyridine;dihydrochloride (CID 67616689) is 6-(1,2,3,6-tetrahydropyridin-4-yl)-4-(5,5,8,8-tetramethyl-6,7-dihydronaphthalen-2-yl)-1,2-dihydropyridine;dihydrochloride.
What is the SMILES notation for 6-(1,2,3,6-tetrahydropyridin-4-yl)-4-(5,5,8,8-tetramethyl-6,7-dihydronaphthalen-2-yl)-1,2-dihydropyridine;dihydrochloride?
The canonical SMILES for 6-(1,2,3,6-tetrahydropyridin-4-yl)-4-(5,5,8,8-tetramethyl-6,7-dihydronaphthalen-2-yl)-1,2-dihydropyridine;dihydrochloride is CC1(C)CCC(C)(C)c2cc(C3=CCNC(C4=CCNCC4)=C3)ccc21.Cl.Cl.
What is the InChIKey of 6-(1,2,3,6-tetrahydropyridin-4-yl)-4-(5,5,8,8-tetramethyl-6,7-dihydronaphthalen-2-yl)-1,2-dihydropyridine;dihydrochloride?
The InChIKey is AIYMSWBDIYBERN-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H32N2.2ClH/c1-23(2)10-11-24(3,4)21-15-18(5-6-20(21)23)19-9-14-26-22(16-19)17-7-12-25-13-8-17;;/h5-7,9,15-16,25-26H,8,10-14H2,1-4H3;2*1H.
What are the key properties of 6-(1,2,3,6-tetrahydropyridin-4-yl)-4-(5,5,8,8-tetramethyl-6,7-dihydronaphthalen-2-yl)-1,2-dihydropyridine;dihydrochloride?
6-(1,2,3,6-tetrahydropyridin-4-yl)-4-(5,5,8,8-tetramethyl-6,7-dihydronaphthalen-2-yl)-1,2-dihydropyridine;dihydrochloride has a molecular weight of 421.46 g/mol, XLogP of 5.67, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(1,2,3,6-tetrahydropyridin-4-yl)-4-(5,5,8,8-tetramethyl-6,7-dihydronaphthalen-2-yl)-1,2-dihydropyridine;dihydrochloride is sourced from PubChem (CID 67616689), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).