2-N,9-N-bis[2-(diethylamino)ethyl]-1,10-phenanthroline-2,9-diamine

C24H36N6 — CID 100984113

IUPAC2-N,9-N-bis[2-(diethylamino)ethyl]-1,10-phenanthroline-2,9-diamine
SMILESCCN(CC)CCNc1ccc2ccc3ccc(NCCN(CC)CC)nc3c2n1
InChIInChI=1S/C24H36N6/c1-5-29(6-2)17-15-25-21-13-11-19-9-10-20-12-14-22(28-24(20)23(19)27-21)26-16-18-30(7-3)8-4/h9-14H,5-8,15-18H2,1-4H3,(H,25,27)(H,26,28)
InChIKeyAKNQKIXPQZMRQE-UHFFFAOYSA-N
MW408.59 g/mol
LogP4.29
Rot. Bonds12

About 2-N,9-N-bis[2-(diethylamino)ethyl]-1,10-phenanthroline-2,9-diamine

2-N,9-N-bis[2-(diethylamino)ethyl]-1,10-phenanthroline-2,9-diamine (PubChem CID 100984113) has the molecular formula C24H36N6 and a molecular weight of 408.59 g/mol. Its IUPAC name is 2-N,9-N-bis[2-(diethylamino)ethyl]-1,10-phenanthroline-2,9-diamine.

Molecular Properties

Compound Name2-N,9-N-bis[2-(diethylamino)ethyl]-1,10-phenanthroline-2,9-diamine
PubChem CID100984113
Molecular FormulaC24H36N6
Molecular Weight408.59 g/mol
Exact Mass408.30
IUPAC Name2-N,9-N-bis[2-(diethylamino)ethyl]-1,10-phenanthroline-2,9-diamine
SMILESCCN(CC)CCNc1ccc2ccc3ccc(NCCN(CC)CC)nc3c2n1
InChIInChI=1S/C24H36N6/c1-5-29(6-2)17-15-25-21-13-11-19-9-10-20-12-14-22(28-24(20)23(19)27-21)26-16-18-30(7-3)8-4/h9-14H,5-8,15-18H2,1-4H3,(H,25,27)(H,26,28)
InChIKeyAKNQKIXPQZMRQE-UHFFFAOYSA-N
XLogP4.29
TPSA56.32 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds12
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500408.59
LogP ≤ 54.29
H-Bond Donors ≤ 52
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 2-N,9-N-bis[2-(diethylamino)ethyl]-1,10-phenanthroline-2,9-diamine?
The IUPAC name of 2-N,9-N-bis[2-(diethylamino)ethyl]-1,10-phenanthroline-2,9-diamine (CID 100984113) is 2-N,9-N-bis[2-(diethylamino)ethyl]-1,10-phenanthroline-2,9-diamine.
What is the SMILES notation for 2-N,9-N-bis[2-(diethylamino)ethyl]-1,10-phenanthroline-2,9-diamine?
The canonical SMILES for 2-N,9-N-bis[2-(diethylamino)ethyl]-1,10-phenanthroline-2,9-diamine is CCN(CC)CCNc1ccc2ccc3ccc(NCCN(CC)CC)nc3c2n1.
What is the InChIKey of 2-N,9-N-bis[2-(diethylamino)ethyl]-1,10-phenanthroline-2,9-diamine?
The InChIKey is AKNQKIXPQZMRQE-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H36N6/c1-5-29(6-2)17-15-25-21-13-11-19-9-10-20-12-14-22(28-24(20)23(19)27-21)26-16-18-30(7-3)8-4/h9-14H,5-8,15-18H2,1-4H3,(H,25,27)(H,26,28).
What are the key properties of 2-N,9-N-bis[2-(diethylamino)ethyl]-1,10-phenanthroline-2,9-diamine?
2-N,9-N-bis[2-(diethylamino)ethyl]-1,10-phenanthroline-2,9-diamine has a molecular weight of 408.59 g/mol, XLogP of 4.29, 12 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-N,9-N-bis[2-(diethylamino)ethyl]-1,10-phenanthroline-2,9-diamine is sourced from PubChem (CID 100984113), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).