(NE)-N-[(E)-3,7,11,15-tetramethylhexadec-2-enylidene]hydroxylamine

C20H39NO — CID 46225451

IUPAC(NE)-N-[(E)-3,7,11,15-tetramethylhexadec-2-enylidene]hydroxylamine
SMILESC/C(=C\C=N\O)CCCC(C)CCCC(C)CCCC(C)C
InChIInChI=1S/C20H39NO/c1-17(2)9-6-10-18(3)11-7-12-19(4)13-8-14-20(5)15-16-21-22/h15-19,22H,6-14H2,1-5H3/b20-15+,21-16+
InChIKeyPCWLLZGPLJKUCP-YJKAXRSRSA-N
MW309.54 g/mol
LogP6.83
Rot. Bonds13

About (NE)-N-[(E)-3,7,11,15-tetramethylhexadec-2-enylidene]hydroxylamine

(NE)-N-[(E)-3,7,11,15-tetramethylhexadec-2-enylidene]hydroxylamine (PubChem CID 46225451) has the molecular formula C20H39NO and a molecular weight of 309.54 g/mol. Its IUPAC name is (NE)-N-[(E)-3,7,11,15-tetramethylhexadec-2-enylidene]hydroxylamine.

Molecular Properties

Compound Name(NE)-N-[(E)-3,7,11,15-tetramethylhexadec-2-enylidene]hydroxylamine
PubChem CID46225451
Molecular FormulaC20H39NO
Molecular Weight309.54 g/mol
Exact Mass309.30
IUPAC Name(NE)-N-[(E)-3,7,11,15-tetramethylhexadec-2-enylidene]hydroxylamine
SMILESC/C(=C\C=N\O)CCCC(C)CCCC(C)CCCC(C)C
InChIInChI=1S/C20H39NO/c1-17(2)9-6-10-18(3)11-7-12-19(4)13-8-14-20(5)15-16-21-22/h15-19,22H,6-14H2,1-5H3/b20-15+,21-16+
InChIKeyPCWLLZGPLJKUCP-YJKAXRSRSA-N
XLogP6.83
TPSA32.59 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds13
Heavy Atoms22
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500309.54
LogP ≤ 56.83
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)-3,7,11,15-tetramethylhexadec-2-enylidene]hydroxylamine?
The IUPAC name of (NE)-N-[(E)-3,7,11,15-tetramethylhexadec-2-enylidene]hydroxylamine (CID 46225451) is (NE)-N-[(E)-3,7,11,15-tetramethylhexadec-2-enylidene]hydroxylamine.
What is the SMILES notation for (NE)-N-[(E)-3,7,11,15-tetramethylhexadec-2-enylidene]hydroxylamine?
The canonical SMILES for (NE)-N-[(E)-3,7,11,15-tetramethylhexadec-2-enylidene]hydroxylamine is C/C(=C\C=N\O)CCCC(C)CCCC(C)CCCC(C)C.
What is the InChIKey of (NE)-N-[(E)-3,7,11,15-tetramethylhexadec-2-enylidene]hydroxylamine?
The InChIKey is PCWLLZGPLJKUCP-YJKAXRSRSA-N. The full InChI is InChI=1S/C20H39NO/c1-17(2)9-6-10-18(3)11-7-12-19(4)13-8-14-20(5)15-16-21-22/h15-19,22H,6-14H2,1-5H3/b20-15+,21-16+.
What are the key properties of (NE)-N-[(E)-3,7,11,15-tetramethylhexadec-2-enylidene]hydroxylamine?
(NE)-N-[(E)-3,7,11,15-tetramethylhexadec-2-enylidene]hydroxylamine has a molecular weight of 309.54 g/mol, XLogP of 6.83, 13 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (NE)-N-[(E)-3,7,11,15-tetramethylhexadec-2-enylidene]hydroxylamine is sourced from PubChem (CID 46225451), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).