4-N,10-N-bis[3-(dimethylamino)propyl]-6-methyl-1,7-phenanthroline-4,10-diamine

C23H34N6 — CID 13133598

IUPAC4-N,10-N-bis[3-(dimethylamino)propyl]-6-methyl-1,7-phenanthroline-4,10-diamine
SMILESCc1cc2c(NCCCN(C)C)ccnc2c2c(NCCCN(C)C)ccnc12
InChIInChI=1S/C23H34N6/c1-17-16-18-19(24-10-6-14-28(2)3)8-12-27-23(18)21-20(9-13-26-22(17)21)25-11-7-15-29(4)5/h8-9,12-13,16H,6-7,10-11,14-15H2,1-5H3,(H,24,27)(H,25,26)
InChIKeyFLUWHFDPBJUAEQ-UHFFFAOYSA-N
MW394.57 g/mol
LogP3.82
Rot. Bonds10

About 4-N,10-N-bis[3-(dimethylamino)propyl]-6-methyl-1,7-phenanthroline-4,10-diamine

4-N,10-N-bis[3-(dimethylamino)propyl]-6-methyl-1,7-phenanthroline-4,10-diamine (PubChem CID 13133598) has the molecular formula C23H34N6 and a molecular weight of 394.57 g/mol. Its IUPAC name is 4-N,10-N-bis[3-(dimethylamino)propyl]-6-methyl-1,7-phenanthroline-4,10-diamine.

Molecular Properties

Compound Name4-N,10-N-bis[3-(dimethylamino)propyl]-6-methyl-1,7-phenanthroline-4,10-diamine
PubChem CID13133598
Molecular FormulaC23H34N6
Molecular Weight394.57 g/mol
Exact Mass394.28
IUPAC Name4-N,10-N-bis[3-(dimethylamino)propyl]-6-methyl-1,7-phenanthroline-4,10-diamine
SMILESCc1cc2c(NCCCN(C)C)ccnc2c2c(NCCCN(C)C)ccnc12
InChIInChI=1S/C23H34N6/c1-17-16-18-19(24-10-6-14-28(2)3)8-12-27-23(18)21-20(9-13-26-22(17)21)25-11-7-15-29(4)5/h8-9,12-13,16H,6-7,10-11,14-15H2,1-5H3,(H,24,27)(H,25,26)
InChIKeyFLUWHFDPBJUAEQ-UHFFFAOYSA-N
XLogP3.82
TPSA56.32 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds10
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500394.57
LogP ≤ 53.82
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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Related Compounds

N-(6,8-dimethoxyquinolin-4-yl)-N',N'-dimethylpropane-1,3-diamine
CID 10589528
N-(9-bromo-5-phenylbenzo[h][1,6]naphthyridin-4-yl)-N',N'-dimethylpropane-1,3-diamine
CID 547300
N-(1,3-dimethylpyrazolo[3,4-b]pyridin-4-yl)-N',N'-dimethylpropane-1,3-diamine
CID 90678705
4-N-[3-(dimethylamino)propyl]-8-N-methyl-5-nitroquinoline-4,8-diamine;hydrochloride
CID 5388836
5,8-dimethyl-N-propylquinolin-4-amine
CID 62191878
N',N'-dimethyl-N-(2-methylphenyl)propane-1,3-diamine
CID 3021697
1-N,7-N-bis[2-[2-(dimethylamino)ethoxy]ethyl]quinolino[8,7-h]quinoline-1,7-diamine;tetrahydrochloride
CID 155540052
N-(7-methoxyquinolin-4-yl)-N',N'-dimethylethane-1,2-diamine
CID 45483572
12-[3-(dimethylamino)propylamino]-16-azatetracyclo[7.7.1.02,7.013,17]heptadeca-1(16),2,4,6,9(17),10,12,14-octaen-8-one
CID 52953208
4-N-[3-(dimethylamino)propyl]-2-N-(2,5-dimethylphenyl)pyrimidine-2,4-diamine
CID 23652592
N'-methyl-N-(7-methylquinolin-4-yl)-N'-[6-[(7-methylquinolin-4-yl)amino]hexyl]hexane-1,6-diamine
CID 130467289
4-[3-(dimethylamino)propylamino]pyridine-2-carboxylic acid
CID 43143056

Frequently Asked Questions

What is the IUPAC name of 4-N,10-N-bis[3-(dimethylamino)propyl]-6-methyl-1,7-phenanthroline-4,10-diamine?
The IUPAC name of 4-N,10-N-bis[3-(dimethylamino)propyl]-6-methyl-1,7-phenanthroline-4,10-diamine (CID 13133598) is 4-N,10-N-bis[3-(dimethylamino)propyl]-6-methyl-1,7-phenanthroline-4,10-diamine.
What is the SMILES notation for 4-N,10-N-bis[3-(dimethylamino)propyl]-6-methyl-1,7-phenanthroline-4,10-diamine?
The canonical SMILES for 4-N,10-N-bis[3-(dimethylamino)propyl]-6-methyl-1,7-phenanthroline-4,10-diamine is Cc1cc2c(NCCCN(C)C)ccnc2c2c(NCCCN(C)C)ccnc12.
What is the InChIKey of 4-N,10-N-bis[3-(dimethylamino)propyl]-6-methyl-1,7-phenanthroline-4,10-diamine?
The InChIKey is FLUWHFDPBJUAEQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H34N6/c1-17-16-18-19(24-10-6-14-28(2)3)8-12-27-23(18)21-20(9-13-26-22(17)21)25-11-7-15-29(4)5/h8-9,12-13,16H,6-7,10-11,14-15H2,1-5H3,(H,24,27)(H,25,26).
What are the key properties of 4-N,10-N-bis[3-(dimethylamino)propyl]-6-methyl-1,7-phenanthroline-4,10-diamine?
4-N,10-N-bis[3-(dimethylamino)propyl]-6-methyl-1,7-phenanthroline-4,10-diamine has a molecular weight of 394.57 g/mol, XLogP of 3.82, 10 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-N,10-N-bis[3-(dimethylamino)propyl]-6-methyl-1,7-phenanthroline-4,10-diamine is sourced from PubChem (CID 13133598), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).