(NE)-N-[(E)-2,5,9-trimethyldec-2-enylidene]hydroxylamine

C13H25NO — CID 15553298

IUPAC(NE)-N-[(E)-2,5,9-trimethyldec-2-enylidene]hydroxylamine
SMILESCC(/C=N/O)=C\CC(C)CCCC(C)C
InChIInChI=1S/C13H25NO/c1-11(2)6-5-7-12(3)8-9-13(4)10-14-15/h9-12,15H,5-8H2,1-4H3/b13-9+,14-10+
InChIKeyUQEINYVOJAFMLB-UTLPMFLDSA-N
MW211.35 g/mol
LogP4.25
Rot. Bonds7

About (NE)-N-[(E)-2,5,9-trimethyldec-2-enylidene]hydroxylamine

(NE)-N-[(E)-2,5,9-trimethyldec-2-enylidene]hydroxylamine (PubChem CID 15553298) has the molecular formula C13H25NO and a molecular weight of 211.35 g/mol. Its IUPAC name is (NE)-N-[(E)-2,5,9-trimethyldec-2-enylidene]hydroxylamine.

Molecular Properties

Compound Name(NE)-N-[(E)-2,5,9-trimethyldec-2-enylidene]hydroxylamine
PubChem CID15553298
Molecular FormulaC13H25NO
Molecular Weight211.35 g/mol
Exact Mass211.19
IUPAC Name(NE)-N-[(E)-2,5,9-trimethyldec-2-enylidene]hydroxylamine
SMILESCC(/C=N/O)=C\CC(C)CCCC(C)C
InChIInChI=1S/C13H25NO/c1-11(2)6-5-7-12(3)8-9-13(4)10-14-15/h9-12,15H,5-8H2,1-4H3/b13-9+,14-10+
InChIKeyUQEINYVOJAFMLB-UTLPMFLDSA-N
XLogP4.25
TPSA32.59 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500211.35
LogP ≤ 54.25
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-[(E)-2,5,9-trimethyldec-2-enylidene]hydroxylamine?
The IUPAC name of (NE)-N-[(E)-2,5,9-trimethyldec-2-enylidene]hydroxylamine (CID 15553298) is (NE)-N-[(E)-2,5,9-trimethyldec-2-enylidene]hydroxylamine.
What is the SMILES notation for (NE)-N-[(E)-2,5,9-trimethyldec-2-enylidene]hydroxylamine?
The canonical SMILES for (NE)-N-[(E)-2,5,9-trimethyldec-2-enylidene]hydroxylamine is CC(/C=N/O)=C\CC(C)CCCC(C)C.
What is the InChIKey of (NE)-N-[(E)-2,5,9-trimethyldec-2-enylidene]hydroxylamine?
The InChIKey is UQEINYVOJAFMLB-UTLPMFLDSA-N. The full InChI is InChI=1S/C13H25NO/c1-11(2)6-5-7-12(3)8-9-13(4)10-14-15/h9-12,15H,5-8H2,1-4H3/b13-9+,14-10+.
What are the key properties of (NE)-N-[(E)-2,5,9-trimethyldec-2-enylidene]hydroxylamine?
(NE)-N-[(E)-2,5,9-trimethyldec-2-enylidene]hydroxylamine has a molecular weight of 211.35 g/mol, XLogP of 4.25, 7 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (NE)-N-[(E)-2,5,9-trimethyldec-2-enylidene]hydroxylamine is sourced from PubChem (CID 15553298), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).