N-methyl-N-[(E)-(10-methylacridin-10-ium-9-yl)methylideneamino]aniline

C22H20N3+ — CID 58766161

IUPACN-methyl-N-[(E)-(10-methylacridin-10-ium-9-yl)methylideneamino]aniline
SMILESCN(/N=C/c1c2ccccc2[n+](C)c2ccccc12)c1ccccc1
InChIInChI=1S/C22H20N3/c1-24-21-14-8-6-12-18(21)20(19-13-7-9-15-22(19)24)16-23-25(2)17-10-4-3-5-11-17/h3-16H,1-2H3/q+1
InChIKeyJOADQKLIENKXCM-UHFFFAOYSA-N
MW326.42 g/mol
LogP4.29
Rot. Bonds3

About N-methyl-N-[(E)-(10-methylacridin-10-ium-9-yl)methylideneamino]aniline

N-methyl-N-[(E)-(10-methylacridin-10-ium-9-yl)methylideneamino]aniline (PubChem CID 58766161) has the molecular formula C22H20N3+ and a molecular weight of 326.42 g/mol. Its IUPAC name is N-methyl-N-[(E)-(10-methylacridin-10-ium-9-yl)methylideneamino]aniline.

Molecular Properties

Compound NameN-methyl-N-[(E)-(10-methylacridin-10-ium-9-yl)methylideneamino]aniline
PubChem CID58766161
Molecular FormulaC22H20N3+
Molecular Weight326.42 g/mol
Exact Mass326.17
IUPAC NameN-methyl-N-[(E)-(10-methylacridin-10-ium-9-yl)methylideneamino]aniline
SMILESCN(/N=C/c1c2ccccc2[n+](C)c2ccccc12)c1ccccc1
InChIInChI=1S/C22H20N3/c1-24-21-14-8-6-12-18(21)20(19-13-7-9-15-22(19)24)16-23-25(2)17-10-4-3-5-11-17/h3-16H,1-2H3/q+1
InChIKeyJOADQKLIENKXCM-UHFFFAOYSA-N
XLogP4.29
TPSA19.48 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500326.42
LogP ≤ 54.29
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'het_pyridiniums_A(39)', 'substructure': 'N/A'}, {'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', '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 N-methyl-N-[(E)-(10-methylacridin-10-ium-9-yl)methylideneamino]aniline?
The IUPAC name of N-methyl-N-[(E)-(10-methylacridin-10-ium-9-yl)methylideneamino]aniline (CID 58766161) is N-methyl-N-[(E)-(10-methylacridin-10-ium-9-yl)methylideneamino]aniline.
What is the SMILES notation for N-methyl-N-[(E)-(10-methylacridin-10-ium-9-yl)methylideneamino]aniline?
The canonical SMILES for N-methyl-N-[(E)-(10-methylacridin-10-ium-9-yl)methylideneamino]aniline is CN(/N=C/c1c2ccccc2[n+](C)c2ccccc12)c1ccccc1.
What is the InChIKey of N-methyl-N-[(E)-(10-methylacridin-10-ium-9-yl)methylideneamino]aniline?
The InChIKey is JOADQKLIENKXCM-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H20N3/c1-24-21-14-8-6-12-18(21)20(19-13-7-9-15-22(19)24)16-23-25(2)17-10-4-3-5-11-17/h3-16H,1-2H3/q+1.
What are the key properties of N-methyl-N-[(E)-(10-methylacridin-10-ium-9-yl)methylideneamino]aniline?
N-methyl-N-[(E)-(10-methylacridin-10-ium-9-yl)methylideneamino]aniline has a molecular weight of 326.42 g/mol, XLogP of 4.29, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-N-[(E)-(10-methylacridin-10-ium-9-yl)methylideneamino]aniline is sourced from PubChem (CID 58766161), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).