(NE)-N-heptylidenehydroxylamine

C7H15NO — CID 5354166

IUPAC(NE)-N-heptylidenehydroxylamine
SMILESCCCCCC/C=N/O
InChIInChI=1S/C7H15NO/c1-2-3-4-5-6-7-8-9/h7,9H,2-6H2,1H3/b8-7+
InChIKeyBNYNJIKGRPHFAM-BQYQJAHWSA-N
MW129.20 g/mol
LogP2.42
Rot. Bonds5

About (NE)-N-heptylidenehydroxylamine

(NE)-N-heptylidenehydroxylamine (PubChem CID 5354166) has the molecular formula C7H15NO and a molecular weight of 129.20 g/mol. Its IUPAC name is (NE)-N-heptylidenehydroxylamine.

Molecular Properties

Compound Name(NE)-N-heptylidenehydroxylamine
PubChem CID5354166
Molecular FormulaC7H15NO
Molecular Weight129.20 g/mol
Exact Mass129.12
IUPAC Name(NE)-N-heptylidenehydroxylamine
SMILESCCCCCC/C=N/O
InChIInChI=1S/C7H15NO/c1-2-3-4-5-6-7-8-9/h7,9H,2-6H2,1H3/b8-7+
InChIKeyBNYNJIKGRPHFAM-BQYQJAHWSA-N
XLogP2.42
TPSA32.59 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500129.20
LogP ≤ 52.42
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 (NE)-N-heptylidenehydroxylamine?
The IUPAC name of (NE)-N-heptylidenehydroxylamine (CID 5354166) is (NE)-N-heptylidenehydroxylamine.
What is the SMILES notation for (NE)-N-heptylidenehydroxylamine?
The canonical SMILES for (NE)-N-heptylidenehydroxylamine is CCCCCC/C=N/O.
What is the InChIKey of (NE)-N-heptylidenehydroxylamine?
The InChIKey is BNYNJIKGRPHFAM-BQYQJAHWSA-N. The full InChI is InChI=1S/C7H15NO/c1-2-3-4-5-6-7-8-9/h7,9H,2-6H2,1H3/b8-7+.
What are the key properties of (NE)-N-heptylidenehydroxylamine?
(NE)-N-heptylidenehydroxylamine has a molecular weight of 129.20 g/mol, XLogP of 2.42, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (NE)-N-heptylidenehydroxylamine is sourced from PubChem (CID 5354166), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).