3-(2-methylpropyl)-1,10-phenanthroline

C16H16N2 — CID 174169966

IUPAC3-(2-methylpropyl)-1,10-phenanthroline
SMILESCC(C)Cc1cnc2c(ccc3cccnc32)c1
InChIInChI=1S/C16H16N2/c1-11(2)8-12-9-14-6-5-13-4-3-7-17-15(13)16(14)18-10-12/h3-7,9-11H,8H2,1-2H3
InChIKeyPNAGLKFUEOPOMN-UHFFFAOYSA-N
MW236.32 g/mol
LogP3.98
Rot. Bonds2

About 3-(2-methylpropyl)-1,10-phenanthroline

3-(2-methylpropyl)-1,10-phenanthroline (PubChem CID 174169966) has the molecular formula C16H16N2 and a molecular weight of 236.32 g/mol. Its IUPAC name is 3-(2-methylpropyl)-1,10-phenanthroline.

Molecular Properties

Compound Name3-(2-methylpropyl)-1,10-phenanthroline
PubChem CID174169966
Molecular FormulaC16H16N2
Molecular Weight236.32 g/mol
Exact Mass236.13
IUPAC Name3-(2-methylpropyl)-1,10-phenanthroline
SMILESCC(C)Cc1cnc2c(ccc3cccnc32)c1
InChIInChI=1S/C16H16N2/c1-11(2)8-12-9-14-6-5-13-4-3-7-17-15(13)16(14)18-10-12/h3-7,9-11H,8H2,1-2H3
InChIKeyPNAGLKFUEOPOMN-UHFFFAOYSA-N
XLogP3.98
TPSA25.78 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500236.32
LogP ≤ 53.98
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Polycyclic_aromatic_hydrocarbon_3', 'substructure': 'N/A'}

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Related Compounds

8-methyl-6-(2-methylpropyl)quinoline
CID 146222256
3-(2-methylpropyl)quinoline
CID 12072851
1,10-phenanthrolin-3-ylmethanesulfonic acid
CID 175906264
(2S,3S)-butane-2,3-diamine;1,10-phenanthroline;platinum(2+)
CID 59769200
3-[4-[4-(1,10-phenanthrolin-3-yl)phenyl]phenyl]-1,10-phenanthroline
CID 118405011
3-ethenyl-1,10-phenanthroline
CID 58813469
CID 58385596
CID 58385596
iridium(3+);1,10-phenanthroline
CID 175702049
osmium;tris(1,10-phenanthroline)
CID 14251798
europium;1,10-phenanthroline
CID 20606755
1,10-phenanthroline;samarium
CID 174616745
bis(1,10-phenanthroline);dihydrobromide
CID 70430219

Frequently Asked Questions

What is the IUPAC name of 3-(2-methylpropyl)-1,10-phenanthroline?
The IUPAC name of 3-(2-methylpropyl)-1,10-phenanthroline (CID 174169966) is 3-(2-methylpropyl)-1,10-phenanthroline.
What is the SMILES notation for 3-(2-methylpropyl)-1,10-phenanthroline?
The canonical SMILES for 3-(2-methylpropyl)-1,10-phenanthroline is CC(C)Cc1cnc2c(ccc3cccnc32)c1.
What is the InChIKey of 3-(2-methylpropyl)-1,10-phenanthroline?
The InChIKey is PNAGLKFUEOPOMN-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H16N2/c1-11(2)8-12-9-14-6-5-13-4-3-7-17-15(13)16(14)18-10-12/h3-7,9-11H,8H2,1-2H3.
What are the key properties of 3-(2-methylpropyl)-1,10-phenanthroline?
3-(2-methylpropyl)-1,10-phenanthroline has a molecular weight of 236.32 g/mol, XLogP of 3.98, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2-methylpropyl)-1,10-phenanthroline is sourced from PubChem (CID 174169966), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).