8-N,8-N,3-trimethylphenazine-2,8-diamine;hydrochloride

C15H17ClN4 — CID 11105

IUPAC8-N,8-N,3-trimethylphenazine-2,8-diamine;hydrochloride
SMILESCc1cc2nc3ccc(N(C)C)cc3nc2cc1N.Cl
InChIInChI=1S/C15H16N4.ClH/c1-9-6-13-15(8-11(9)16)18-14-7-10(19(2)3)4-5-12(14)17-13;/h4-8H,16H2,1-3H3;1H
InChIKeyPGSADBUBUOPOJS-UHFFFAOYSA-N
MW288.78 g/mol
LogP3.16
Rot. Bonds1

About 8-N,8-N,3-trimethylphenazine-2,8-diamine;hydrochloride

8-N,8-N,3-trimethylphenazine-2,8-diamine;hydrochloride (PubChem CID 11105) has the molecular formula C15H17ClN4 and a molecular weight of 288.78 g/mol. Its IUPAC name is 8-N,8-N,3-trimethylphenazine-2,8-diamine;hydrochloride.

Molecular Properties

Compound Name8-N,8-N,3-trimethylphenazine-2,8-diamine;hydrochloride
PubChem CID11105
Molecular FormulaC15H17ClN4
Molecular Weight288.78 g/mol
Exact Mass288.11
IUPAC Name8-N,8-N,3-trimethylphenazine-2,8-diamine;hydrochloride
SMILESCc1cc2nc3ccc(N(C)C)cc3nc2cc1N.Cl
InChIInChI=1S/C15H16N4.ClH/c1-9-6-13-15(8-11(9)16)18-14-7-10(19(2)3)4-5-12(14)17-13;/h4-8H,16H2,1-3H3;1H
InChIKeyPGSADBUBUOPOJS-UHFFFAOYSA-N
XLogP3.16
TPSA55.04 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.78
LogP ≤ 53.16
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

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CID 7099
Acridine Orange Base
CID 62344
C.I. Basic Red 2
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CID 6842
JP1302
CID 540335
2,3-Diaminophenazine
CID 410099
3,6-Acridinediamine, hydrochloride (1:1)
CID 197873
Phenosafranine
CID 65732
Ethidium
CID 3624
Phenanthridinium, 3,8-diamino-5-methyl-6-phenyl-, bromide (1:1)
CID 68207
3-Acridinamine
CID 11385
C.I. Basic Orange 14
CID 517204

Frequently Asked Questions

What is the IUPAC name of 8-N,8-N,3-trimethylphenazine-2,8-diamine;hydrochloride?
The IUPAC name of 8-N,8-N,3-trimethylphenazine-2,8-diamine;hydrochloride (CID 11105) is 8-N,8-N,3-trimethylphenazine-2,8-diamine;hydrochloride.
What is the SMILES notation for 8-N,8-N,3-trimethylphenazine-2,8-diamine;hydrochloride?
The canonical SMILES for 8-N,8-N,3-trimethylphenazine-2,8-diamine;hydrochloride is Cc1cc2nc3ccc(N(C)C)cc3nc2cc1N.Cl.
What is the InChIKey of 8-N,8-N,3-trimethylphenazine-2,8-diamine;hydrochloride?
The InChIKey is PGSADBUBUOPOJS-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H16N4.ClH/c1-9-6-13-15(8-11(9)16)18-14-7-10(19(2)3)4-5-12(14)17-13;/h4-8H,16H2,1-3H3;1H.
What are the key properties of 8-N,8-N,3-trimethylphenazine-2,8-diamine;hydrochloride?
8-N,8-N,3-trimethylphenazine-2,8-diamine;hydrochloride has a molecular weight of 288.78 g/mol, XLogP of 3.16, 1 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 8-N,8-N,3-trimethylphenazine-2,8-diamine;hydrochloride is sourced from PubChem (CID 11105), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).