(NE)-N-(2-methylhexan-3-ylidene)hydroxylamine

C7H15NO — CID 12978176

IUPAC(NE)-N-(2-methylhexan-3-ylidene)hydroxylamine
SMILESCCC/C(=N\O)C(C)C
InChIInChI=1S/C7H15NO/c1-4-5-7(8-9)6(2)3/h6,9H,4-5H2,1-3H3/b8-7+
InChIKeyAHMNLRKVMYAESR-BQYQJAHWSA-N
MW129.20 g/mol
LogP2.27
Rot. Bonds3

About (NE)-N-(2-methylhexan-3-ylidene)hydroxylamine

(NE)-N-(2-methylhexan-3-ylidene)hydroxylamine (PubChem CID 12978176) has the molecular formula C7H15NO and a molecular weight of 129.20 g/mol. Its IUPAC name is (NE)-N-(2-methylhexan-3-ylidene)hydroxylamine.

Molecular Properties

Compound Name(NE)-N-(2-methylhexan-3-ylidene)hydroxylamine
PubChem CID12978176
Molecular FormulaC7H15NO
Molecular Weight129.20 g/mol
Exact Mass129.12
IUPAC Name(NE)-N-(2-methylhexan-3-ylidene)hydroxylamine
SMILESCCC/C(=N\O)C(C)C
InChIInChI=1S/C7H15NO/c1-4-5-7(8-9)6(2)3/h6,9H,4-5H2,1-3H3/b8-7+
InChIKeyAHMNLRKVMYAESR-BQYQJAHWSA-N
XLogP2.27
TPSA32.59 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500129.20
LogP ≤ 52.27
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'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-(2-methylhexan-3-ylidene)hydroxylamine?
The IUPAC name of (NE)-N-(2-methylhexan-3-ylidene)hydroxylamine (CID 12978176) is (NE)-N-(2-methylhexan-3-ylidene)hydroxylamine.
What is the SMILES notation for (NE)-N-(2-methylhexan-3-ylidene)hydroxylamine?
The canonical SMILES for (NE)-N-(2-methylhexan-3-ylidene)hydroxylamine is CCC/C(=N\O)C(C)C.
What is the InChIKey of (NE)-N-(2-methylhexan-3-ylidene)hydroxylamine?
The InChIKey is AHMNLRKVMYAESR-BQYQJAHWSA-N. The full InChI is InChI=1S/C7H15NO/c1-4-5-7(8-9)6(2)3/h6,9H,4-5H2,1-3H3/b8-7+.
What are the key properties of (NE)-N-(2-methylhexan-3-ylidene)hydroxylamine?
(NE)-N-(2-methylhexan-3-ylidene)hydroxylamine has a molecular weight of 129.20 g/mol, XLogP of 2.27, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (NE)-N-(2-methylhexan-3-ylidene)hydroxylamine is sourced from PubChem (CID 12978176), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).