3,3,4,7,8-pentamethyl-4,4a,5,6,7,8-hexahydro-2H-1,10-phenanthroline

C17H26N2 — CID 123944889

IUPAC3,3,4,7,8-pentamethyl-4,4a,5,6,7,8-hexahydro-2H-1,10-phenanthroline
SMILESCC1C=NC2=C(CCC3C2=NCC(C)(C)C3C)C1C
InChIInChI=1S/C17H26N2/c1-10-8-18-15-13(11(10)2)6-7-14-12(3)17(4,5)9-19-16(14)15/h8,10-12,14H,6-7,9H2,1-5H3
InChIKeyOQXXRHVDFNOLIM-UHFFFAOYSA-N
MW258.41 g/mol
LogP4.12
Rot. Bonds

About 3,3,4,7,8-pentamethyl-4,4a,5,6,7,8-hexahydro-2H-1,10-phenanthroline

3,3,4,7,8-pentamethyl-4,4a,5,6,7,8-hexahydro-2H-1,10-phenanthroline (PubChem CID 123944889) has the molecular formula C17H26N2 and a molecular weight of 258.41 g/mol. Its IUPAC name is 3,3,4,7,8-pentamethyl-4,4a,5,6,7,8-hexahydro-2H-1,10-phenanthroline.

Molecular Properties

Compound Name3,3,4,7,8-pentamethyl-4,4a,5,6,7,8-hexahydro-2H-1,10-phenanthroline
PubChem CID123944889
Molecular FormulaC17H26N2
Molecular Weight258.41 g/mol
Exact Mass258.21
IUPAC Name3,3,4,7,8-pentamethyl-4,4a,5,6,7,8-hexahydro-2H-1,10-phenanthroline
SMILESCC1C=NC2=C(CCC3C2=NCC(C)(C)C3C)C1C
InChIInChI=1S/C17H26N2/c1-10-8-18-15-13(11(10)2)6-7-14-12(3)17(4,5)9-19-16(14)15/h8,10-12,14H,6-7,9H2,1-5H3
InChIKeyOQXXRHVDFNOLIM-UHFFFAOYSA-N
XLogP4.12
TPSA24.72 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500258.41
LogP ≤ 54.12
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Analyze 3,3,4,7,8-pentamethyl-4,4a,5,6,7,8-hexahydro-2H-1,10-phenanthroline with MolForge

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Related Compounds

1-(3-Ethyl-5-methyl-3,4,5,6-tetrahydro-1,7-naphthyridin-2-yl)ethanimine
CID 123420524
1-(3,4,5,6,7,8-hexahydroquinolin-8-yl)-N-methylmethanimine
CID 134463819
ethane;spiro[4,5,6,8-tetrahydro-3H-quinoline-7,1'-cyclopropane]
CID 142548989
ethane;spiro[4,5,7,8-tetrahydro-3H-quinoline-6,1'-cyclopropane]
CID 142548996
3,4,4-trimethyl-5,6,7,8-tetrahydro-3H-cyclopenta[b]azepine
CID 144327147
2,3,4-Trimethyl-7-propan-2-yl-4,4a,7,8-tetrahydro-1,6-naphthyridine
CID 167263548
6-Propan-2-yl-3,4,5,6,7,8-hexahydroquinoline
CID 169977751
1-(2-Methylcyclohexyl)-3,4,5,6,7,8-hexahydroisoquinoline
CID 24869328
(4R,4aR)-4,4a,7,8-tetramethyl-3,4,5,6-tetrahydro-2H-quinoline
CID 101691891

Frequently Asked Questions

What is the IUPAC name of 3,3,4,7,8-pentamethyl-4,4a,5,6,7,8-hexahydro-2H-1,10-phenanthroline?
The IUPAC name of 3,3,4,7,8-pentamethyl-4,4a,5,6,7,8-hexahydro-2H-1,10-phenanthroline (CID 123944889) is 3,3,4,7,8-pentamethyl-4,4a,5,6,7,8-hexahydro-2H-1,10-phenanthroline.
What is the SMILES notation for 3,3,4,7,8-pentamethyl-4,4a,5,6,7,8-hexahydro-2H-1,10-phenanthroline?
The canonical SMILES for 3,3,4,7,8-pentamethyl-4,4a,5,6,7,8-hexahydro-2H-1,10-phenanthroline is CC1C=NC2=C(CCC3C2=NCC(C)(C)C3C)C1C.
What is the InChIKey of 3,3,4,7,8-pentamethyl-4,4a,5,6,7,8-hexahydro-2H-1,10-phenanthroline?
The InChIKey is OQXXRHVDFNOLIM-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H26N2/c1-10-8-18-15-13(11(10)2)6-7-14-12(3)17(4,5)9-19-16(14)15/h8,10-12,14H,6-7,9H2,1-5H3.
What are the key properties of 3,3,4,7,8-pentamethyl-4,4a,5,6,7,8-hexahydro-2H-1,10-phenanthroline?
3,3,4,7,8-pentamethyl-4,4a,5,6,7,8-hexahydro-2H-1,10-phenanthroline has a molecular weight of 258.41 g/mol, XLogP of 4.12, 0 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3,3,4,7,8-pentamethyl-4,4a,5,6,7,8-hexahydro-2H-1,10-phenanthroline is sourced from PubChem (CID 123944889), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).