5,9-dimethyl-1,2,4a,8,10a,10b-hexahydro-1,10-phenanthroline

C14H18N2 — CID 91561084

IUPAC5,9-dimethyl-1,2,4a,8,10a,10b-hexahydro-1,10-phenanthroline
SMILESCC1=CC2=CCC(C)=NC2C2NCC=CC12
InChIInChI=1S/C14H18N2/c1-9-8-11-6-5-10(2)16-13(11)14-12(9)4-3-7-15-14/h3-4,6,8,12-15H,5,7H2,1-2H3
InChIKeyLZQNGVNFONIBHL-UHFFFAOYSA-N
MW214.31 g/mol
LogP2.25
Rot. Bonds

About 5,9-dimethyl-1,2,4a,8,10a,10b-hexahydro-1,10-phenanthroline

5,9-dimethyl-1,2,4a,8,10a,10b-hexahydro-1,10-phenanthroline (PubChem CID 91561084) has the molecular formula C14H18N2 and a molecular weight of 214.31 g/mol. Its IUPAC name is 5,9-dimethyl-1,2,4a,8,10a,10b-hexahydro-1,10-phenanthroline.

Molecular Properties

Compound Name5,9-dimethyl-1,2,4a,8,10a,10b-hexahydro-1,10-phenanthroline
PubChem CID91561084
Molecular FormulaC14H18N2
Molecular Weight214.31 g/mol
Exact Mass214.15
IUPAC Name5,9-dimethyl-1,2,4a,8,10a,10b-hexahydro-1,10-phenanthroline
SMILESCC1=CC2=CCC(C)=NC2C2NCC=CC12
InChIInChI=1S/C14H18N2/c1-9-8-11-6-5-10(2)16-13(11)14-12(9)4-3-7-15-14/h3-4,6,8,12-15H,5,7H2,1-2H3
InChIKeyLZQNGVNFONIBHL-UHFFFAOYSA-N
XLogP2.25
TPSA24.39 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500214.31
LogP ≤ 52.25
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 5,9-dimethyl-1,2,4a,8,10a,10b-hexahydro-1,10-phenanthroline?
The IUPAC name of 5,9-dimethyl-1,2,4a,8,10a,10b-hexahydro-1,10-phenanthroline (CID 91561084) is 5,9-dimethyl-1,2,4a,8,10a,10b-hexahydro-1,10-phenanthroline.
What is the SMILES notation for 5,9-dimethyl-1,2,4a,8,10a,10b-hexahydro-1,10-phenanthroline?
The canonical SMILES for 5,9-dimethyl-1,2,4a,8,10a,10b-hexahydro-1,10-phenanthroline is CC1=CC2=CCC(C)=NC2C2NCC=CC12.
What is the InChIKey of 5,9-dimethyl-1,2,4a,8,10a,10b-hexahydro-1,10-phenanthroline?
The InChIKey is LZQNGVNFONIBHL-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18N2/c1-9-8-11-6-5-10(2)16-13(11)14-12(9)4-3-7-15-14/h3-4,6,8,12-15H,5,7H2,1-2H3.
What are the key properties of 5,9-dimethyl-1,2,4a,8,10a,10b-hexahydro-1,10-phenanthroline?
5,9-dimethyl-1,2,4a,8,10a,10b-hexahydro-1,10-phenanthroline has a molecular weight of 214.31 g/mol, XLogP of 2.25, 0 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5,9-dimethyl-1,2,4a,8,10a,10b-hexahydro-1,10-phenanthroline is sourced from PubChem (CID 91561084), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).