N,9-dimethoxy-9-oxononan-1-amine oxide

C11H23NO4 — CID 163471822

IUPACN,9-dimethoxy-9-oxononan-1-amine oxide
SMILESCOC(=O)CCCCCCCC[NH+]([O-])OC
InChIInChI=1S/C11H23NO4/c1-15-11(13)9-7-5-3-4-6-8-10-12(14)16-2/h12H,3-10H2,1-2H3
InChIKeyBXDAKJWUFKCLMS-UHFFFAOYSA-N
MW233.31 g/mol
LogP0.83
Rot. Bonds10

About N,9-dimethoxy-9-oxononan-1-amine oxide

N,9-dimethoxy-9-oxononan-1-amine oxide (PubChem CID 163471822) has the molecular formula C11H23NO4 and a molecular weight of 233.31 g/mol. Its IUPAC name is N,9-dimethoxy-9-oxononan-1-amine oxide.

Molecular Properties

Compound NameN,9-dimethoxy-9-oxononan-1-amine oxide
PubChem CID163471822
Molecular FormulaC11H23NO4
Molecular Weight233.31 g/mol
Exact Mass233.16
IUPAC NameN,9-dimethoxy-9-oxononan-1-amine oxide
SMILESCOC(=O)CCCCCCCC[NH+]([O-])OC
InChIInChI=1S/C11H23NO4/c1-15-11(13)9-7-5-3-4-6-8-10-12(14)16-2/h12H,3-10H2,1-2H3
InChIKeyBXDAKJWUFKCLMS-UHFFFAOYSA-N
XLogP0.83
TPSA63.03 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds10
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500233.31
LogP ≤ 50.83
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

bis(dimethyl decanedioate);dimethyl hexanedioate
CID 90703426
dimethyl dotriacontanedioate
CID 14325565
N,N'-dimethoxyhexane-1,6-diamine oxide
CID 163773390
dimethyl tricosanedioate
CID 12632762
dimethyl 6,7-dioxododecanedioate
CID 71343651
dimethyl hexanedioate;λ2-stannane
CID 173290075
dimethyl hexanedioate;stannane
CID 173290076
dimethyl 9-oxooctadecanedioate
CID 544455
dimethyl hexanedioate;molecular hydrogen
CID 173272620
barium(2+);bis(18-methoxy-18-oxooctadecanoate)
CID 176892597
methyl 8-nitrooctanoate
CID 13411627
methyl heptadecanoate
CID 15609

Frequently Asked Questions

What is the IUPAC name of N,9-dimethoxy-9-oxononan-1-amine oxide?
The IUPAC name of N,9-dimethoxy-9-oxononan-1-amine oxide (CID 163471822) is N,9-dimethoxy-9-oxononan-1-amine oxide.
What is the SMILES notation for N,9-dimethoxy-9-oxononan-1-amine oxide?
The canonical SMILES for N,9-dimethoxy-9-oxononan-1-amine oxide is COC(=O)CCCCCCCC[NH+]([O-])OC.
What is the InChIKey of N,9-dimethoxy-9-oxononan-1-amine oxide?
The InChIKey is BXDAKJWUFKCLMS-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H23NO4/c1-15-11(13)9-7-5-3-4-6-8-10-12(14)16-2/h12H,3-10H2,1-2H3.
What are the key properties of N,9-dimethoxy-9-oxononan-1-amine oxide?
N,9-dimethoxy-9-oxononan-1-amine oxide has a molecular weight of 233.31 g/mol, XLogP of 0.83, 10 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N,9-dimethoxy-9-oxononan-1-amine oxide is sourced from PubChem (CID 163471822), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).