actinium;2-(2-methyl-5-nitroanilino)ethylazanide

C9H12AcN3O2- — CID 21364796

IUPACactinium;2-(2-methyl-5-nitroanilino)ethylazanide
SMILESCc1ccc([N+](=O)[O-])cc1NCC[NH-].[Ac]
InChIInChI=1S/C9H12N3O2.Ac/c1-7-2-3-8(12(13)14)6-9(7)11-5-4-10;/h2-3,6,10-11H,4-5H2,1H3;/q-1;
InChIKeyUYQWOFPMHMEFBE-UHFFFAOYSA-N
MW421.21 g/mol
LogP2.37
Rot. Bonds4

About actinium;2-(2-methyl-5-nitroanilino)ethylazanide

actinium;2-(2-methyl-5-nitroanilino)ethylazanide (PubChem CID 21364796) has the molecular formula C9H12AcN3O2- and a molecular weight of 421.21 g/mol. Its IUPAC name is actinium;2-(2-methyl-5-nitroanilino)ethylazanide.

Molecular Properties

Compound Nameactinium;2-(2-methyl-5-nitroanilino)ethylazanide
PubChem CID21364796
Molecular FormulaC9H12AcN3O2-
Molecular Weight421.21 g/mol
Exact Mass421.12
IUPAC Nameactinium;2-(2-methyl-5-nitroanilino)ethylazanide
SMILESCc1ccc([N+](=O)[O-])cc1NCC[NH-].[Ac]
InChIInChI=1S/C9H12N3O2.Ac/c1-7-2-3-8(12(13)14)6-9(7)11-5-4-10;/h2-3,6,10-11H,4-5H2,1H3;/q-1;
InChIKeyUYQWOFPMHMEFBE-UHFFFAOYSA-N
XLogP2.37
TPSA78.97 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500421.21
LogP ≤ 52.37
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'nitro_group', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

N-heptyl-2-methyl-5-nitroaniline
CID 43718518
2-methyl-5-nitro-N-octylaniline
CID 43718449
2-methyl-5-nitro-N-(3,3,3-trifluoropropyl)aniline
CID 63227359
2-methyl-N-(3-methylsulfanylbutyl)-5-nitroaniline
CID 113494064
methyl 3-(2-methyl-5-nitroanilino)propanoate
CID 62588646
N-(4-methoxybutyl)-2-methyl-5-nitroaniline
CID 55091211
N-(2-cyclopentylethyl)-2-methyl-5-nitroaniline
CID 63535583
(2-methyl-5-nitrophenyl)hydrazine
CID 3918674
2-methyl-5-nitro-N-(2-phenoxyethyl)aniline
CID 60720575
2-methyl-5-(2-methyl-5-nitroanilino)pentan-1-ol
CID 106158445
3-(2-methyl-5-nitroanilino)-N-propylpropanamide
CID 55091259
N-[2-(2-fluorophenyl)ethyl]-2-methyl-5-nitroaniline
CID 62589948

Frequently Asked Questions

What is the IUPAC name of actinium;2-(2-methyl-5-nitroanilino)ethylazanide?
The IUPAC name of actinium;2-(2-methyl-5-nitroanilino)ethylazanide (CID 21364796) is actinium;2-(2-methyl-5-nitroanilino)ethylazanide.
What is the SMILES notation for actinium;2-(2-methyl-5-nitroanilino)ethylazanide?
The canonical SMILES for actinium;2-(2-methyl-5-nitroanilino)ethylazanide is Cc1ccc([N+](=O)[O-])cc1NCC[NH-].[Ac].
What is the InChIKey of actinium;2-(2-methyl-5-nitroanilino)ethylazanide?
The InChIKey is UYQWOFPMHMEFBE-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H12N3O2.Ac/c1-7-2-3-8(12(13)14)6-9(7)11-5-4-10;/h2-3,6,10-11H,4-5H2,1H3;/q-1;.
What are the key properties of actinium;2-(2-methyl-5-nitroanilino)ethylazanide?
actinium;2-(2-methyl-5-nitroanilino)ethylazanide has a molecular weight of 421.21 g/mol, XLogP of 2.37, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for actinium;2-(2-methyl-5-nitroanilino)ethylazanide is sourced from PubChem (CID 21364796), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).