10-methylacridin-10-ium-3,6-diamine;chloride;hydrochloride

C14H15Cl2N3 — CID 15558347

IUPAC10-methylacridin-10-ium-3,6-diamine;chloride;hydrochloride
SMILESC[n+]1c2cc(N)ccc2cc2ccc(N)cc21.Cl.[Cl-]
InChIInChI=1S/C14H13N3.2ClH/c1-17-13-7-11(15)4-2-9(13)6-10-3-5-12(16)8-14(10)17;;/h2-8H,1H3,(H3,15,16);2*1H
InChIKeyOEGQPXPIKZELFM-UHFFFAOYSA-N
MW296.20 g/mol
LogP-0.59
Rot. Bonds

About 10-methylacridin-10-ium-3,6-diamine;chloride;hydrochloride

10-methylacridin-10-ium-3,6-diamine;chloride;hydrochloride (PubChem CID 15558347) has the molecular formula C14H15Cl2N3 and a molecular weight of 296.20 g/mol. Its IUPAC name is 10-methylacridin-10-ium-3,6-diamine;chloride;hydrochloride.

Molecular Properties

Compound Name10-methylacridin-10-ium-3,6-diamine;chloride;hydrochloride
PubChem CID15558347
Molecular FormulaC14H15Cl2N3
Molecular Weight296.20 g/mol
Exact Mass295.06
IUPAC Name10-methylacridin-10-ium-3,6-diamine;chloride;hydrochloride
SMILESC[n+]1c2cc(N)ccc2cc2ccc(N)cc21.Cl.[Cl-]
InChIInChI=1S/C14H13N3.2ClH/c1-17-13-7-11(15)4-2-9(13)6-10-3-5-12(16)8-14(10)17;;/h2-8H,1H3,(H3,15,16);2*1H
InChIKeyOEGQPXPIKZELFM-UHFFFAOYSA-N
XLogP-0.59
TPSA55.92 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500296.20
LogP ≤ 5-0.59
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'het_pyridiniums_A(39)', 'substructure': 'N/A'}, {'alert_name': 'aniline', 'substructure': 'N/A'}, {'alert_name': 'Polycyclic_aromatic_hydrocarbon_2', 'substructure': 'N/A'}, {'alert_name': 'quaternary_nitrogen_1', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 10-methylacridin-10-ium-3,6-diamine;chloride;hydrochloride?
The IUPAC name of 10-methylacridin-10-ium-3,6-diamine;chloride;hydrochloride (CID 15558347) is 10-methylacridin-10-ium-3,6-diamine;chloride;hydrochloride.
What is the SMILES notation for 10-methylacridin-10-ium-3,6-diamine;chloride;hydrochloride?
The canonical SMILES for 10-methylacridin-10-ium-3,6-diamine;chloride;hydrochloride is C[n+]1c2cc(N)ccc2cc2ccc(N)cc21.Cl.[Cl-].
What is the InChIKey of 10-methylacridin-10-ium-3,6-diamine;chloride;hydrochloride?
The InChIKey is OEGQPXPIKZELFM-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H13N3.2ClH/c1-17-13-7-11(15)4-2-9(13)6-10-3-5-12(16)8-14(10)17;;/h2-8H,1H3,(H3,15,16);2*1H.
What are the key properties of 10-methylacridin-10-ium-3,6-diamine;chloride;hydrochloride?
10-methylacridin-10-ium-3,6-diamine;chloride;hydrochloride has a molecular weight of 296.20 g/mol, XLogP of -0.59, 0 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 10-methylacridin-10-ium-3,6-diamine;chloride;hydrochloride is sourced from PubChem (CID 15558347), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).