N-[[9-[[2-(dimethylamino)ethylamino]methyl]-1,10-phenanthrolin-2-yl]methyl]-N',N'-dimethylethane-1,2-diamine

C22H32N6 — CID 10595963

IUPACN-[[9-[[2-(dimethylamino)ethylamino]methyl]-1,10-phenanthrolin-2-yl]methyl]-N',N'-dimethylethane-1,2-diamine
SMILESCN(C)CCNCc1ccc2ccc3ccc(CNCCN(C)C)nc3c2n1
InChIInChI=1S/C22H32N6/c1-27(2)13-11-23-15-19-9-7-17-5-6-18-8-10-20(16-24-12-14-28(3)4)26-22(18)21(17)25-19/h5-10,23-24H,11-16H2,1-4H3
InChIKeyYOIAODIMILFDCU-UHFFFAOYSA-N
MW380.54 g/mol
LogP2.09
Rot. Bonds10

About N-[[9-[[2-(dimethylamino)ethylamino]methyl]-1,10-phenanthrolin-2-yl]methyl]-N',N'-dimethylethane-1,2-diamine

N-[[9-[[2-(dimethylamino)ethylamino]methyl]-1,10-phenanthrolin-2-yl]methyl]-N',N'-dimethylethane-1,2-diamine (PubChem CID 10595963) has the molecular formula C22H32N6 and a molecular weight of 380.54 g/mol. Its IUPAC name is N-[[9-[[2-(dimethylamino)ethylamino]methyl]-1,10-phenanthrolin-2-yl]methyl]-N',N'-dimethylethane-1,2-diamine.

Molecular Properties

Compound NameN-[[9-[[2-(dimethylamino)ethylamino]methyl]-1,10-phenanthrolin-2-yl]methyl]-N',N'-dimethylethane-1,2-diamine
PubChem CID10595963
Molecular FormulaC22H32N6
Molecular Weight380.54 g/mol
Exact Mass380.27
IUPAC NameN-[[9-[[2-(dimethylamino)ethylamino]methyl]-1,10-phenanthrolin-2-yl]methyl]-N',N'-dimethylethane-1,2-diamine
SMILESCN(C)CCNCc1ccc2ccc3ccc(CNCCN(C)C)nc3c2n1
InChIInChI=1S/C22H32N6/c1-27(2)13-11-23-15-19-9-7-17-5-6-18-8-10-20(16-24-12-14-28(3)4)26-22(18)21(17)25-19/h5-10,23-24H,11-16H2,1-4H3
InChIKeyYOIAODIMILFDCU-UHFFFAOYSA-N
XLogP2.09
TPSA56.32 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds10
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500380.54
LogP ≤ 52.09
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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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Frequently Asked Questions

What is the IUPAC name of N-[[9-[[2-(dimethylamino)ethylamino]methyl]-1,10-phenanthrolin-2-yl]methyl]-N',N'-dimethylethane-1,2-diamine?
The IUPAC name of N-[[9-[[2-(dimethylamino)ethylamino]methyl]-1,10-phenanthrolin-2-yl]methyl]-N',N'-dimethylethane-1,2-diamine (CID 10595963) is N-[[9-[[2-(dimethylamino)ethylamino]methyl]-1,10-phenanthrolin-2-yl]methyl]-N',N'-dimethylethane-1,2-diamine.
What is the SMILES notation for N-[[9-[[2-(dimethylamino)ethylamino]methyl]-1,10-phenanthrolin-2-yl]methyl]-N',N'-dimethylethane-1,2-diamine?
The canonical SMILES for N-[[9-[[2-(dimethylamino)ethylamino]methyl]-1,10-phenanthrolin-2-yl]methyl]-N',N'-dimethylethane-1,2-diamine is CN(C)CCNCc1ccc2ccc3ccc(CNCCN(C)C)nc3c2n1.
What is the InChIKey of N-[[9-[[2-(dimethylamino)ethylamino]methyl]-1,10-phenanthrolin-2-yl]methyl]-N',N'-dimethylethane-1,2-diamine?
The InChIKey is YOIAODIMILFDCU-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H32N6/c1-27(2)13-11-23-15-19-9-7-17-5-6-18-8-10-20(16-24-12-14-28(3)4)26-22(18)21(17)25-19/h5-10,23-24H,11-16H2,1-4H3.
What are the key properties of N-[[9-[[2-(dimethylamino)ethylamino]methyl]-1,10-phenanthrolin-2-yl]methyl]-N',N'-dimethylethane-1,2-diamine?
N-[[9-[[2-(dimethylamino)ethylamino]methyl]-1,10-phenanthrolin-2-yl]methyl]-N',N'-dimethylethane-1,2-diamine has a molecular weight of 380.54 g/mol, XLogP of 2.09, 10 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[9-[[2-(dimethylamino)ethylamino]methyl]-1,10-phenanthrolin-2-yl]methyl]-N',N'-dimethylethane-1,2-diamine is sourced from PubChem (CID 10595963), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).