imino-[4-(4-methoxybutyl)phenyl]-oxidoazanium

C11H16N2O2 — CID 170189286

IUPACimino-[4-(4-methoxybutyl)phenyl]-oxidoazanium
SMILES[H]/N=[N+](\[O-])c1ccc(CCCCOC)cc1
InChIInChI=1S/C11H16N2O2/c1-15-9-3-2-4-10-5-7-11(8-6-10)13(12)14/h5-8,12H,2-4,9H2,1H3/b13-12-
InChIKeyZJBDFTPPEWOTNQ-SEYXRHQNSA-N
MW208.26 g/mol
LogP2.83
Rot. Bonds6

About imino-[4-(4-methoxybutyl)phenyl]-oxidoazanium

imino-[4-(4-methoxybutyl)phenyl]-oxidoazanium (PubChem CID 170189286) has the molecular formula C11H16N2O2 and a molecular weight of 208.26 g/mol. Its IUPAC name is imino-[4-(4-methoxybutyl)phenyl]-oxidoazanium.

Molecular Properties

Compound Nameimino-[4-(4-methoxybutyl)phenyl]-oxidoazanium
PubChem CID170189286
Molecular FormulaC11H16N2O2
Molecular Weight208.26 g/mol
Exact Mass208.12
IUPAC Nameimino-[4-(4-methoxybutyl)phenyl]-oxidoazanium
SMILES[H]/N=[N+](\[O-])c1ccc(CCCCOC)cc1
InChIInChI=1S/C11H16N2O2/c1-15-9-3-2-4-10-5-7-11(8-6-10)13(12)14/h5-8,12H,2-4,9H2,1H3/b13-12-
InChIKeyZJBDFTPPEWOTNQ-SEYXRHQNSA-N
XLogP2.83
TPSA59.15 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500208.26
LogP ≤ 52.83
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'azo_A(324)', 'substructure': 'N/A'}, {'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'diazo_group', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}, {'alert_name': 'quaternary_nitrogen_1', 'substructure': 'N/A'}

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Related Compounds

1-ethyl-4-(4-methoxybutyl)benzene
CID 143010325
1-methoxy-4-(4-methoxybutyl)benzene
CID 18345059
ethane;1-fluoro-4-(4-methoxybutyl)benzene
CID 143010320
ethane;1-methoxy-4-(4-methoxybutyl)benzene
CID 143283222
7-methoxyheptylbenzene
CID 54276867
1-(2-methoxyethyl)-4-(4-pentylphenyl)benzene
CID 58090333
1,2-dimethoxy-4-(4-methoxybutyl)benzene
CID 70361362
2-[4-(3-methoxypropyl)phenyl]ethyl-dioxido-oxo-λ5-phosphane
CID 58454934
5-(4-nitrophenyl)pentyl acetate
CID 101451915
2-[4-(3-methoxypropyl)phenyl]-N-methylethanamine
CID 117108047
1-(8-methoxyoctyl)-4-phenylmethoxybenzene
CID 15052396
2-bromo-5-(4-methoxybutyl)pyridine
CID 162151692

Frequently Asked Questions

What is the IUPAC name of imino-[4-(4-methoxybutyl)phenyl]-oxidoazanium?
The IUPAC name of imino-[4-(4-methoxybutyl)phenyl]-oxidoazanium (CID 170189286) is imino-[4-(4-methoxybutyl)phenyl]-oxidoazanium.
What is the SMILES notation for imino-[4-(4-methoxybutyl)phenyl]-oxidoazanium?
The canonical SMILES for imino-[4-(4-methoxybutyl)phenyl]-oxidoazanium is [H]/N=[N+](\[O-])c1ccc(CCCCOC)cc1.
What is the InChIKey of imino-[4-(4-methoxybutyl)phenyl]-oxidoazanium?
The InChIKey is ZJBDFTPPEWOTNQ-SEYXRHQNSA-N. The full InChI is InChI=1S/C11H16N2O2/c1-15-9-3-2-4-10-5-7-11(8-6-10)13(12)14/h5-8,12H,2-4,9H2,1H3/b13-12-.
What are the key properties of imino-[4-(4-methoxybutyl)phenyl]-oxidoazanium?
imino-[4-(4-methoxybutyl)phenyl]-oxidoazanium has a molecular weight of 208.26 g/mol, XLogP of 2.83, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for imino-[4-(4-methoxybutyl)phenyl]-oxidoazanium is sourced from PubChem (CID 170189286), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).