N'-(1,10-phenanthrolin-2-yl)propane-1,3-diamine

C15H16N4 — CID 132938270

IUPACN'-(1,10-phenanthrolin-2-yl)propane-1,3-diamine
SMILESNCCCNc1ccc2ccc3cccnc3c2n1
InChIInChI=1S/C15H16N4/c16-8-2-10-17-13-7-6-12-5-4-11-3-1-9-18-14(11)15(12)19-13/h1,3-7,9H,2,8,10,16H2,(H,17,19)
InChIKeyWRZSMCFIVISVFI-UHFFFAOYSA-N
MW252.32 g/mol
LogP2.54
Rot. Bonds4

About N'-(1,10-phenanthrolin-2-yl)propane-1,3-diamine

N'-(1,10-phenanthrolin-2-yl)propane-1,3-diamine (PubChem CID 132938270) has the molecular formula C15H16N4 and a molecular weight of 252.32 g/mol. Its IUPAC name is N'-(1,10-phenanthrolin-2-yl)propane-1,3-diamine.

Molecular Properties

Compound NameN'-(1,10-phenanthrolin-2-yl)propane-1,3-diamine
PubChem CID132938270
Molecular FormulaC15H16N4
Molecular Weight252.32 g/mol
Exact Mass252.14
IUPAC NameN'-(1,10-phenanthrolin-2-yl)propane-1,3-diamine
SMILESNCCCNc1ccc2ccc3cccnc3c2n1
InChIInChI=1S/C15H16N4/c16-8-2-10-17-13-7-6-12-5-4-11-3-1-9-18-14(11)15(12)19-13/h1,3-7,9H,2,8,10,16H2,(H,17,19)
InChIKeyWRZSMCFIVISVFI-UHFFFAOYSA-N
XLogP2.54
TPSA63.83 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500252.32
LogP ≤ 52.54
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

N-chloro-1,10-phenanthrolin-2-amine
CID 90121840
bis(1,10-phenanthroline);dihydrobromide
CID 70430219
N-phenyl-1,10-phenanthrolin-2-amine
CID 132850503
1,10-phenanthroline;samarium
CID 174616745
osmium;tris(1,10-phenanthroline)
CID 14251798
iridium(3+);1,10-phenanthroline
CID 175702049
CID 58385596
CID 58385596
europium;1,10-phenanthroline
CID 20606755
bis(1,10-phenanthroline);ruthenium
CID 15001085
N'-([1,3]thiazolo[5,4-b]pyridin-5-yl)propane-1,3-diamine
CID 83834252
N'-([1,3]thiazolo[4,5-b]pyridin-5-yl)propane-1,3-diamine
CID 83834255
dichlorocopper;hydrogen peroxide;1,10-phenanthroline
CID 158916437

Frequently Asked Questions

What is the IUPAC name of N'-(1,10-phenanthrolin-2-yl)propane-1,3-diamine?
The IUPAC name of N'-(1,10-phenanthrolin-2-yl)propane-1,3-diamine (CID 132938270) is N'-(1,10-phenanthrolin-2-yl)propane-1,3-diamine.
What is the SMILES notation for N'-(1,10-phenanthrolin-2-yl)propane-1,3-diamine?
The canonical SMILES for N'-(1,10-phenanthrolin-2-yl)propane-1,3-diamine is NCCCNc1ccc2ccc3cccnc3c2n1.
What is the InChIKey of N'-(1,10-phenanthrolin-2-yl)propane-1,3-diamine?
The InChIKey is WRZSMCFIVISVFI-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H16N4/c16-8-2-10-17-13-7-6-12-5-4-11-3-1-9-18-14(11)15(12)19-13/h1,3-7,9H,2,8,10,16H2,(H,17,19).
What are the key properties of N'-(1,10-phenanthrolin-2-yl)propane-1,3-diamine?
N'-(1,10-phenanthrolin-2-yl)propane-1,3-diamine has a molecular weight of 252.32 g/mol, XLogP of 2.54, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N'-(1,10-phenanthrolin-2-yl)propane-1,3-diamine is sourced from PubChem (CID 132938270), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).