(NE)-N-[(2E,6E)-3,7,11-trimethyldodeca-2,6,10-trienylidene]hydroxylamine

C15H25NO — CID 5365884

IUPAC(NE)-N-[(2E,6E)-3,7,11-trimethyldodeca-2,6,10-trienylidene]hydroxylamine
SMILESCC(C)=CCC/C(C)=C/CC/C(C)=C/C=N/O
InChIInChI=1S/C15H25NO/c1-13(2)7-5-8-14(3)9-6-10-15(4)11-12-16-17/h7,9,11-12,17H,5-6,8,10H2,1-4H3/b14-9+,15-11+,16-12+
InChIKeyNJTRDUDZKFPSBJ-GDXIMDLHSA-N
MW235.37 g/mol
LogP4.87
Rot. Bonds7

About (NE)-N-[(2E,6E)-3,7,11-trimethyldodeca-2,6,10-trienylidene]hydroxylamine

(NE)-N-[(2E,6E)-3,7,11-trimethyldodeca-2,6,10-trienylidene]hydroxylamine (PubChem CID 5365884) has the molecular formula C15H25NO and a molecular weight of 235.37 g/mol. Its IUPAC name is (NE)-N-[(2E,6E)-3,7,11-trimethyldodeca-2,6,10-trienylidene]hydroxylamine.

Molecular Properties

Compound Name(NE)-N-[(2E,6E)-3,7,11-trimethyldodeca-2,6,10-trienylidene]hydroxylamine
PubChem CID5365884
Molecular FormulaC15H25NO
Molecular Weight235.37 g/mol
Exact Mass235.19
IUPAC Name(NE)-N-[(2E,6E)-3,7,11-trimethyldodeca-2,6,10-trienylidene]hydroxylamine
SMILESCC(C)=CCC/C(C)=C/CC/C(C)=C/C=N/O
InChIInChI=1S/C15H25NO/c1-13(2)7-5-8-14(3)9-6-10-15(4)11-12-16-17/h7,9,11-12,17H,5-6,8,10H2,1-4H3/b14-9+,15-11+,16-12+
InChIKeyNJTRDUDZKFPSBJ-GDXIMDLHSA-N
XLogP4.87
TPSA32.59 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500235.37
LogP ≤ 54.87
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'isolated_alkene', '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-[(2E,6E)-3,7,11-trimethyldodeca-2,6,10-trienylidene]hydroxylamine?
The IUPAC name of (NE)-N-[(2E,6E)-3,7,11-trimethyldodeca-2,6,10-trienylidene]hydroxylamine (CID 5365884) is (NE)-N-[(2E,6E)-3,7,11-trimethyldodeca-2,6,10-trienylidene]hydroxylamine.
What is the SMILES notation for (NE)-N-[(2E,6E)-3,7,11-trimethyldodeca-2,6,10-trienylidene]hydroxylamine?
The canonical SMILES for (NE)-N-[(2E,6E)-3,7,11-trimethyldodeca-2,6,10-trienylidene]hydroxylamine is CC(C)=CCC/C(C)=C/CC/C(C)=C/C=N/O.
What is the InChIKey of (NE)-N-[(2E,6E)-3,7,11-trimethyldodeca-2,6,10-trienylidene]hydroxylamine?
The InChIKey is NJTRDUDZKFPSBJ-GDXIMDLHSA-N. The full InChI is InChI=1S/C15H25NO/c1-13(2)7-5-8-14(3)9-6-10-15(4)11-12-16-17/h7,9,11-12,17H,5-6,8,10H2,1-4H3/b14-9+,15-11+,16-12+.
What are the key properties of (NE)-N-[(2E,6E)-3,7,11-trimethyldodeca-2,6,10-trienylidene]hydroxylamine?
(NE)-N-[(2E,6E)-3,7,11-trimethyldodeca-2,6,10-trienylidene]hydroxylamine has a molecular weight of 235.37 g/mol, XLogP of 4.87, 7 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (NE)-N-[(2E,6E)-3,7,11-trimethyldodeca-2,6,10-trienylidene]hydroxylamine is sourced from PubChem (CID 5365884), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).