2-N,9-N-bis(methylideneamino)-1,10-phenanthroline-2,9-diamine

C14H12N6 — CID 174693268

IUPAC2-N,9-N-bis(methylideneamino)-1,10-phenanthroline-2,9-diamine
SMILESC=NNc1ccc2ccc3ccc(NN=C)nc3c2n1
InChIInChI=1S/C14H12N6/c1-15-19-11-7-5-9-3-4-10-6-8-12(20-16-2)18-14(10)13(9)17-11/h3-8H,1-2H2,(H,17,19)(H,18,20)
InChIKeyLOUKFJDTYFVJJK-UHFFFAOYSA-N
MW264.29 g/mol
LogP2.84
Rot. Bonds4

About 2-N,9-N-bis(methylideneamino)-1,10-phenanthroline-2,9-diamine

2-N,9-N-bis(methylideneamino)-1,10-phenanthroline-2,9-diamine (PubChem CID 174693268) has the molecular formula C14H12N6 and a molecular weight of 264.29 g/mol. Its IUPAC name is 2-N,9-N-bis(methylideneamino)-1,10-phenanthroline-2,9-diamine.

Molecular Properties

Compound Name2-N,9-N-bis(methylideneamino)-1,10-phenanthroline-2,9-diamine
PubChem CID174693268
Molecular FormulaC14H12N6
Molecular Weight264.29 g/mol
Exact Mass264.11
IUPAC Name2-N,9-N-bis(methylideneamino)-1,10-phenanthroline-2,9-diamine
SMILESC=NNc1ccc2ccc3ccc(NN=C)nc3c2n1
InChIInChI=1S/C14H12N6/c1-15-19-11-7-5-9-3-4-10-6-8-12(20-16-2)18-14(10)13(9)17-11/h3-8H,1-2H2,(H,17,19)(H,18,20)
InChIKeyLOUKFJDTYFVJJK-UHFFFAOYSA-N
XLogP2.84
TPSA74.56 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500264.29
LogP ≤ 52.84
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}, {'alert_name': 'Polycyclic_aromatic_hydrocarbon_3', 'substructure': 'N/A'}

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Related Compounds

(9-hydrazinyl-1,10-phenanthrolin-2-yl)hydrazine
CID 15448479
N-chloro-1,10-phenanthrolin-2-amine
CID 90121840
2-N,9-N-bis[2-(diethylamino)ethyl]-1,10-phenanthroline-2,9-diamine
CID 100984113
N-phenyl-1,10-phenanthrolin-2-amine
CID 132850503
2-[(2E)-2-[(8-hydroxyquinolin-7-yl)methylidene]hydrazinyl]quinolin-8-ol
CID 135509586
sodium N-quinolin-2-ylnitrous amide
CID 54608705
8-ethyl-N-propan-2-ylquinolin-2-amine
CID 84621973
2,9-difluoro-1,10-phenanthroline
CID 58555940
N-(1-phenylethylideneamino)quinolin-2-amine
CID 618819
N-[(E)-[9-[(E)-(pyridin-2-ylhydrazinylidene)methyl]-1,10-phenanthrolin-2-yl]methylideneamino]pyridin-2-amine
CID 56695626
2-(methylamino)-7H-1,7-naphthyridin-8-one
CID 142879401
8-methoxy-N-methylquinolin-2-amine
CID 57292538

Frequently Asked Questions

What is the IUPAC name of 2-N,9-N-bis(methylideneamino)-1,10-phenanthroline-2,9-diamine?
The IUPAC name of 2-N,9-N-bis(methylideneamino)-1,10-phenanthroline-2,9-diamine (CID 174693268) is 2-N,9-N-bis(methylideneamino)-1,10-phenanthroline-2,9-diamine.
What is the SMILES notation for 2-N,9-N-bis(methylideneamino)-1,10-phenanthroline-2,9-diamine?
The canonical SMILES for 2-N,9-N-bis(methylideneamino)-1,10-phenanthroline-2,9-diamine is C=NNc1ccc2ccc3ccc(NN=C)nc3c2n1.
What is the InChIKey of 2-N,9-N-bis(methylideneamino)-1,10-phenanthroline-2,9-diamine?
The InChIKey is LOUKFJDTYFVJJK-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H12N6/c1-15-19-11-7-5-9-3-4-10-6-8-12(20-16-2)18-14(10)13(9)17-11/h3-8H,1-2H2,(H,17,19)(H,18,20).
What are the key properties of 2-N,9-N-bis(methylideneamino)-1,10-phenanthroline-2,9-diamine?
2-N,9-N-bis(methylideneamino)-1,10-phenanthroline-2,9-diamine has a molecular weight of 264.29 g/mol, XLogP of 2.84, 4 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(methylideneamino)-1,10-phenanthroline-2,9-diamine is sourced from PubChem (CID 174693268), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).