4-N,7-N-bis(2-aminoethyl)-1,10-phenanthroline-4,7-diamine

C16H20N6 — CID 46227409

IUPAC4-N,7-N-bis(2-aminoethyl)-1,10-phenanthroline-4,7-diamine
SMILESNCCNc1ccnc2c1ccc1c(NCCN)ccnc12
InChIInChI=1S/C16H20N6/c17-5-9-19-13-3-7-21-15-11(13)1-2-12-14(20-10-6-18)4-8-22-16(12)15/h1-4,7-8H,5-6,9-10,17-18H2,(H,19,21)(H,20,22)
InChIKeyGBNDRIVALDKOLH-UHFFFAOYSA-N
MW296.38 g/mol
LogP1.52
Rot. Bonds6

About 4-N,7-N-bis(2-aminoethyl)-1,10-phenanthroline-4,7-diamine

4-N,7-N-bis(2-aminoethyl)-1,10-phenanthroline-4,7-diamine (PubChem CID 46227409) has the molecular formula C16H20N6 and a molecular weight of 296.38 g/mol. Its IUPAC name is 4-N,7-N-bis(2-aminoethyl)-1,10-phenanthroline-4,7-diamine.

Molecular Properties

Compound Name4-N,7-N-bis(2-aminoethyl)-1,10-phenanthroline-4,7-diamine
PubChem CID46227409
Molecular FormulaC16H20N6
Molecular Weight296.38 g/mol
Exact Mass296.17
IUPAC Name4-N,7-N-bis(2-aminoethyl)-1,10-phenanthroline-4,7-diamine
SMILESNCCNc1ccnc2c1ccc1c(NCCN)ccnc12
InChIInChI=1S/C16H20N6/c17-5-9-19-13-3-7-21-15-11(13)1-2-12-14(20-10-6-18)4-8-22-16(12)15/h1-4,7-8H,5-6,9-10,17-18H2,(H,19,21)(H,20,22)
InChIKeyGBNDRIVALDKOLH-UHFFFAOYSA-N
XLogP1.52
TPSA101.88 Ų
H-Bond Donors4
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500296.38
LogP ≤ 51.52
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 4-N,7-N-bis(2-aminoethyl)-1,10-phenanthroline-4,7-diamine?
The IUPAC name of 4-N,7-N-bis(2-aminoethyl)-1,10-phenanthroline-4,7-diamine (CID 46227409) is 4-N,7-N-bis(2-aminoethyl)-1,10-phenanthroline-4,7-diamine.
What is the SMILES notation for 4-N,7-N-bis(2-aminoethyl)-1,10-phenanthroline-4,7-diamine?
The canonical SMILES for 4-N,7-N-bis(2-aminoethyl)-1,10-phenanthroline-4,7-diamine is NCCNc1ccnc2c1ccc1c(NCCN)ccnc12.
What is the InChIKey of 4-N,7-N-bis(2-aminoethyl)-1,10-phenanthroline-4,7-diamine?
The InChIKey is GBNDRIVALDKOLH-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H20N6/c17-5-9-19-13-3-7-21-15-11(13)1-2-12-14(20-10-6-18)4-8-22-16(12)15/h1-4,7-8H,5-6,9-10,17-18H2,(H,19,21)(H,20,22).
What are the key properties of 4-N,7-N-bis(2-aminoethyl)-1,10-phenanthroline-4,7-diamine?
4-N,7-N-bis(2-aminoethyl)-1,10-phenanthroline-4,7-diamine has a molecular weight of 296.38 g/mol, XLogP of 1.52, 6 rotatable bonds, 4 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-N,7-N-bis(2-aminoethyl)-1,10-phenanthroline-4,7-diamine is sourced from PubChem (CID 46227409), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).