(2R,9R)-2-butyl-9-methyl-1,2,3,4,7,8,9,10-octahydro-1,10-phenanthroline

C17H26N2 — CID 134860782

IUPAC(2R,9R)-2-butyl-9-methyl-1,2,3,4,7,8,9,10-octahydro-1,10-phenanthroline
SMILESCCCC[C@@H]1CCc2ccc3c(c2N1)N[C@H](C)CC3
InChIInChI=1S/C17H26N2/c1-3-4-5-15-11-10-14-9-8-13-7-6-12(2)18-16(13)17(14)19-15/h8-9,12,15,18-19H,3-7,10-11H2,1-2H3/t12-,15-/m1/s1
InChIKeyVKFRDRSLQVPHTM-IUODEOHRSA-N
MW258.41 g/mol
LogP4.35
Rot. Bonds3

About (2R,9R)-2-butyl-9-methyl-1,2,3,4,7,8,9,10-octahydro-1,10-phenanthroline

(2R,9R)-2-butyl-9-methyl-1,2,3,4,7,8,9,10-octahydro-1,10-phenanthroline (PubChem CID 134860782) has the molecular formula C17H26N2 and a molecular weight of 258.41 g/mol. Its IUPAC name is (2R,9R)-2-butyl-9-methyl-1,2,3,4,7,8,9,10-octahydro-1,10-phenanthroline.

Molecular Properties

Compound Name(2R,9R)-2-butyl-9-methyl-1,2,3,4,7,8,9,10-octahydro-1,10-phenanthroline
PubChem CID134860782
Molecular FormulaC17H26N2
Molecular Weight258.41 g/mol
Exact Mass258.21
IUPAC Name(2R,9R)-2-butyl-9-methyl-1,2,3,4,7,8,9,10-octahydro-1,10-phenanthroline
SMILESCCCC[C@@H]1CCc2ccc3c(c2N1)N[C@H](C)CC3
InChIInChI=1S/C17H26N2/c1-3-4-5-15-11-10-14-9-8-13-7-6-12(2)18-16(13)17(14)19-15/h8-9,12,15,18-19H,3-7,10-11H2,1-2H3/t12-,15-/m1/s1
InChIKeyVKFRDRSLQVPHTM-IUODEOHRSA-N
XLogP4.35
TPSA24.06 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500258.41
LogP ≤ 54.35
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Analyze (2R,9R)-2-butyl-9-methyl-1,2,3,4,7,8,9,10-octahydro-1,10-phenanthroline with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of (2R,9R)-2-butyl-9-methyl-1,2,3,4,7,8,9,10-octahydro-1,10-phenanthroline?
The IUPAC name of (2R,9R)-2-butyl-9-methyl-1,2,3,4,7,8,9,10-octahydro-1,10-phenanthroline (CID 134860782) is (2R,9R)-2-butyl-9-methyl-1,2,3,4,7,8,9,10-octahydro-1,10-phenanthroline.
What is the SMILES notation for (2R,9R)-2-butyl-9-methyl-1,2,3,4,7,8,9,10-octahydro-1,10-phenanthroline?
The canonical SMILES for (2R,9R)-2-butyl-9-methyl-1,2,3,4,7,8,9,10-octahydro-1,10-phenanthroline is CCCC[C@@H]1CCc2ccc3c(c2N1)N[C@H](C)CC3.
What is the InChIKey of (2R,9R)-2-butyl-9-methyl-1,2,3,4,7,8,9,10-octahydro-1,10-phenanthroline?
The InChIKey is VKFRDRSLQVPHTM-IUODEOHRSA-N. The full InChI is InChI=1S/C17H26N2/c1-3-4-5-15-11-10-14-9-8-13-7-6-12(2)18-16(13)17(14)19-15/h8-9,12,15,18-19H,3-7,10-11H2,1-2H3/t12-,15-/m1/s1.
What are the key properties of (2R,9R)-2-butyl-9-methyl-1,2,3,4,7,8,9,10-octahydro-1,10-phenanthroline?
(2R,9R)-2-butyl-9-methyl-1,2,3,4,7,8,9,10-octahydro-1,10-phenanthroline has a molecular weight of 258.41 g/mol, XLogP of 4.35, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2R,9R)-2-butyl-9-methyl-1,2,3,4,7,8,9,10-octahydro-1,10-phenanthroline is sourced from PubChem (CID 134860782), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).