N-benzyl-2-(3,7-dimethyloct-6-enoxy)ethanimine oxide

C19H29NO2 — CID 170783313

IUPACN-benzyl-2-(3,7-dimethyloct-6-enoxy)ethanimine oxide
SMILESCC(C)=CCCC(C)CCOC/C=[N+](\[O-])Cc1ccccc1
InChIInChI=1S/C19H29NO2/c1-17(2)8-7-9-18(3)12-14-22-15-13-20(21)16-19-10-5-4-6-11-19/h4-6,8,10-11,13,18H,7,9,12,14-16H2,1-3H3/b20-13-
InChIKeyOITGSOOFLVKHOB-MOSHPQCFSA-N
MW303.45 g/mol
LogP4.56
Rot. Bonds10

About N-benzyl-2-(3,7-dimethyloct-6-enoxy)ethanimine oxide

N-benzyl-2-(3,7-dimethyloct-6-enoxy)ethanimine oxide (PubChem CID 170783313) has the molecular formula C19H29NO2 and a molecular weight of 303.45 g/mol. Its IUPAC name is N-benzyl-2-(3,7-dimethyloct-6-enoxy)ethanimine oxide.

Molecular Properties

Compound NameN-benzyl-2-(3,7-dimethyloct-6-enoxy)ethanimine oxide
PubChem CID170783313
Molecular FormulaC19H29NO2
Molecular Weight303.45 g/mol
Exact Mass303.22
IUPAC NameN-benzyl-2-(3,7-dimethyloct-6-enoxy)ethanimine oxide
SMILESCC(C)=CCCC(C)CCOC/C=[N+](\[O-])Cc1ccccc1
InChIInChI=1S/C19H29NO2/c1-17(2)8-7-9-18(3)12-14-22-15-13-20(21)16-19-10-5-4-6-11-19/h4-6,8,10-11,13,18H,7,9,12,14-16H2,1-3H3/b20-13-
InChIKeyOITGSOOFLVKHOB-MOSHPQCFSA-N
XLogP4.56
TPSA35.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds10
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500303.45
LogP ≤ 54.56
H-Bond Donors ≤ 50
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': 'isolated_alkene', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}, {'alert_name': 'quaternary_nitrogen_1', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of N-benzyl-2-(3,7-dimethyloct-6-enoxy)ethanimine oxide?
The IUPAC name of N-benzyl-2-(3,7-dimethyloct-6-enoxy)ethanimine oxide (CID 170783313) is N-benzyl-2-(3,7-dimethyloct-6-enoxy)ethanimine oxide.
What is the SMILES notation for N-benzyl-2-(3,7-dimethyloct-6-enoxy)ethanimine oxide?
The canonical SMILES for N-benzyl-2-(3,7-dimethyloct-6-enoxy)ethanimine oxide is CC(C)=CCCC(C)CCOC/C=[N+](\[O-])Cc1ccccc1.
What is the InChIKey of N-benzyl-2-(3,7-dimethyloct-6-enoxy)ethanimine oxide?
The InChIKey is OITGSOOFLVKHOB-MOSHPQCFSA-N. The full InChI is InChI=1S/C19H29NO2/c1-17(2)8-7-9-18(3)12-14-22-15-13-20(21)16-19-10-5-4-6-11-19/h4-6,8,10-11,13,18H,7,9,12,14-16H2,1-3H3/b20-13-.
What are the key properties of N-benzyl-2-(3,7-dimethyloct-6-enoxy)ethanimine oxide?
N-benzyl-2-(3,7-dimethyloct-6-enoxy)ethanimine oxide has a molecular weight of 303.45 g/mol, XLogP of 4.56, 10 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-benzyl-2-(3,7-dimethyloct-6-enoxy)ethanimine oxide is sourced from PubChem (CID 170783313), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).