2-N,2-N-diethyl-8-N,8-N-dimethylphenazine-2,8-diamine

C18H22N4 — CID 46832728

IUPAC2-N,2-N-diethyl-8-N,8-N-dimethylphenazine-2,8-diamine
SMILESCCN(CC)c1ccc2nc3ccc(N(C)C)cc3nc2c1
InChIInChI=1S/C18H22N4/c1-5-22(6-2)14-8-10-16-18(12-14)20-17-11-13(21(3)4)7-9-15(17)19-16/h7-12H,5-6H2,1-4H3
InChIKeyQPYYXIYGTFJRTO-UHFFFAOYSA-N
MW294.40 g/mol
LogP3.70
Rot. Bonds4

About 2-N,2-N-diethyl-8-N,8-N-dimethylphenazine-2,8-diamine

2-N,2-N-diethyl-8-N,8-N-dimethylphenazine-2,8-diamine (PubChem CID 46832728) has the molecular formula C18H22N4 and a molecular weight of 294.40 g/mol. Its IUPAC name is 2-N,2-N-diethyl-8-N,8-N-dimethylphenazine-2,8-diamine.

Molecular Properties

Compound Name2-N,2-N-diethyl-8-N,8-N-dimethylphenazine-2,8-diamine
PubChem CID46832728
Molecular FormulaC18H22N4
Molecular Weight294.40 g/mol
Exact Mass294.18
IUPAC Name2-N,2-N-diethyl-8-N,8-N-dimethylphenazine-2,8-diamine
SMILESCCN(CC)c1ccc2nc3ccc(N(C)C)cc3nc2c1
InChIInChI=1S/C18H22N4/c1-5-22(6-2)14-8-10-16-18(12-14)20-17-11-13(21(3)4)7-9-15(17)19-16/h7-12H,5-6H2,1-4H3
InChIKeyQPYYXIYGTFJRTO-UHFFFAOYSA-N
XLogP3.70
TPSA32.26 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500294.40
LogP ≤ 53.70
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Polycyclic_aromatic_hydrocarbon_2', 'substructure': 'N/A'}

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Related Compounds

Phenazine
CID 4757
2,3-Diaminophenazine
CID 410099
Neutral Red
CID 11105
2,3-Dimethylquinoxaline
CID 16925
Phenosafranine
CID 65732
2,3-Dimethylquinoxalin-6-amine
CID 146053
6-Quinoxalinamine
CID 237859
1,2,3,4-Tetrahydrophenazine
CID 236273
Phenazinium, 2-amino-8-(dimethylamino)-10-phenyl-, chloride (1:1)
CID 75442
Janus Green B
CID 76123
Phenazine ethosulfate
CID 82688
N8,N8,3-Trimethyl-2,8-phenazinediamine
CID 11106

Frequently Asked Questions

What is the IUPAC name of 2-N,2-N-diethyl-8-N,8-N-dimethylphenazine-2,8-diamine?
The IUPAC name of 2-N,2-N-diethyl-8-N,8-N-dimethylphenazine-2,8-diamine (CID 46832728) is 2-N,2-N-diethyl-8-N,8-N-dimethylphenazine-2,8-diamine.
What is the SMILES notation for 2-N,2-N-diethyl-8-N,8-N-dimethylphenazine-2,8-diamine?
The canonical SMILES for 2-N,2-N-diethyl-8-N,8-N-dimethylphenazine-2,8-diamine is CCN(CC)c1ccc2nc3ccc(N(C)C)cc3nc2c1.
What is the InChIKey of 2-N,2-N-diethyl-8-N,8-N-dimethylphenazine-2,8-diamine?
The InChIKey is QPYYXIYGTFJRTO-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H22N4/c1-5-22(6-2)14-8-10-16-18(12-14)20-17-11-13(21(3)4)7-9-15(17)19-16/h7-12H,5-6H2,1-4H3.
What are the key properties of 2-N,2-N-diethyl-8-N,8-N-dimethylphenazine-2,8-diamine?
2-N,2-N-diethyl-8-N,8-N-dimethylphenazine-2,8-diamine has a molecular weight of 294.40 g/mol, XLogP of 3.70, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-N,2-N-diethyl-8-N,8-N-dimethylphenazine-2,8-diamine is sourced from PubChem (CID 46832728), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).