N-[(2-nonylphenyl)methylidene]hydroxylamine

C16H25NO — CID 88505189

IUPACN-[(2-nonylphenyl)methylidene]hydroxylamine
SMILESCCCCCCCCCc1ccccc1C=NO
InChIInChI=1S/C16H25NO/c1-2-3-4-5-6-7-8-11-15-12-9-10-13-16(15)14-17-18/h9-10,12-14,18H,2-8,11H2,1H3
InChIKeyKJNYPGVCMMODPO-UHFFFAOYSA-N
MW247.38 g/mol
LogP4.79
Rot. Bonds9

About N-[(2-nonylphenyl)methylidene]hydroxylamine

N-[(2-nonylphenyl)methylidene]hydroxylamine (PubChem CID 88505189) has the molecular formula C16H25NO and a molecular weight of 247.38 g/mol. Its IUPAC name is N-[(2-nonylphenyl)methylidene]hydroxylamine.

Molecular Properties

Compound NameN-[(2-nonylphenyl)methylidene]hydroxylamine
PubChem CID88505189
Molecular FormulaC16H25NO
Molecular Weight247.38 g/mol
Exact Mass247.19
IUPAC NameN-[(2-nonylphenyl)methylidene]hydroxylamine
SMILESCCCCCCCCCc1ccccc1C=NO
InChIInChI=1S/C16H25NO/c1-2-3-4-5-6-7-8-11-15-12-9-10-13-16(15)14-17-18/h9-10,12-14,18H,2-8,11H2,1H3
InChIKeyKJNYPGVCMMODPO-UHFFFAOYSA-N
XLogP4.79
TPSA32.59 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds9
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500247.38
LogP ≤ 54.79
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'oxime_1', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of N-[(2-nonylphenyl)methylidene]hydroxylamine?
The IUPAC name of N-[(2-nonylphenyl)methylidene]hydroxylamine (CID 88505189) is N-[(2-nonylphenyl)methylidene]hydroxylamine.
What is the SMILES notation for N-[(2-nonylphenyl)methylidene]hydroxylamine?
The canonical SMILES for N-[(2-nonylphenyl)methylidene]hydroxylamine is CCCCCCCCCc1ccccc1C=NO.
What is the InChIKey of N-[(2-nonylphenyl)methylidene]hydroxylamine?
The InChIKey is KJNYPGVCMMODPO-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H25NO/c1-2-3-4-5-6-7-8-11-15-12-9-10-13-16(15)14-17-18/h9-10,12-14,18H,2-8,11H2,1H3.
What are the key properties of N-[(2-nonylphenyl)methylidene]hydroxylamine?
N-[(2-nonylphenyl)methylidene]hydroxylamine has a molecular weight of 247.38 g/mol, XLogP of 4.79, 9 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2-nonylphenyl)methylidene]hydroxylamine is sourced from PubChem (CID 88505189), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).