N,N'-dimethoxyhexane-1,6-diamine oxide

C8H20N2O4 — CID 163773390

IUPACN,N'-dimethoxyhexane-1,6-diamine oxide
SMILESCO[NH+]([O-])CCCCCC[NH+]([O-])OC
InChIInChI=1S/C8H20N2O4/c1-13-9(11)7-5-3-4-6-8-10(12)14-2/h9-10H,3-8H2,1-2H3
InChIKeyMIHZXFMTTIWEOG-UHFFFAOYSA-N
MW208.26 g/mol
LogP-1.57
Rot. Bonds9

About N,N'-dimethoxyhexane-1,6-diamine oxide

N,N'-dimethoxyhexane-1,6-diamine oxide (PubChem CID 163773390) has the molecular formula C8H20N2O4 and a molecular weight of 208.26 g/mol. Its IUPAC name is N,N'-dimethoxyhexane-1,6-diamine oxide.

Molecular Properties

Compound NameN,N'-dimethoxyhexane-1,6-diamine oxide
PubChem CID163773390
Molecular FormulaC8H20N2O4
Molecular Weight208.26 g/mol
Exact Mass208.14
IUPAC NameN,N'-dimethoxyhexane-1,6-diamine oxide
SMILESCO[NH+]([O-])CCCCCC[NH+]([O-])OC
InChIInChI=1S/C8H20N2O4/c1-13-9(11)7-5-3-4-6-8-10(12)14-2/h9-10H,3-8H2,1-2H3
InChIKeyMIHZXFMTTIWEOG-UHFFFAOYSA-N
XLogP-1.57
TPSA73.46 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500208.26
LogP ≤ 5-1.57
H-Bond Donors ≤ 52
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

N,9-dimethoxy-9-oxononan-1-amine oxide
CID 163471822
N-dodecyldodecan-1-amine oxide
CID 22112105
N-propylpentadecan-1-amine oxide
CID 174870712
N-propyloctadecan-1-amine oxide
CID 87073468
6-(dimethylazaniumyl)hexyl-dimethylazanium dibromide
CID 87519961
dodecane;N-propylpropan-1-amine oxide
CID 174371620
(Z)-N-[(Z)-octadec-9-enyl]octadec-9-en-1-amine oxide
CID 139805928
N-[1-[6-[2-[dodecyl(oxido)azaniumyl]oxy-3-prop-2-enoyloxypropoxy]hexoxy]-3-prop-2-enoyloxypropan-2-yl]oxydodecan-1-amine oxide
CID 163577251
N-(2,2-dihydroxyethyl)hexacosan-1-amine oxide
CID 139792359
8-methyl-N-propylnonan-1-amine oxide
CID 140968134
dimethylazanium;dimethyl(octadecyl)azanium;methyl sulfate;chloride
CID 159449901
methyl(dioctadecyl)azanium chlorite
CID 87492098

Frequently Asked Questions

What is the IUPAC name of N,N'-dimethoxyhexane-1,6-diamine oxide?
The IUPAC name of N,N'-dimethoxyhexane-1,6-diamine oxide (CID 163773390) is N,N'-dimethoxyhexane-1,6-diamine oxide.
What is the SMILES notation for N,N'-dimethoxyhexane-1,6-diamine oxide?
The canonical SMILES for N,N'-dimethoxyhexane-1,6-diamine oxide is CO[NH+]([O-])CCCCCC[NH+]([O-])OC.
What is the InChIKey of N,N'-dimethoxyhexane-1,6-diamine oxide?
The InChIKey is MIHZXFMTTIWEOG-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H20N2O4/c1-13-9(11)7-5-3-4-6-8-10(12)14-2/h9-10H,3-8H2,1-2H3.
What are the key properties of N,N'-dimethoxyhexane-1,6-diamine oxide?
N,N'-dimethoxyhexane-1,6-diamine oxide has a molecular weight of 208.26 g/mol, XLogP of -1.57, 9 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N,N'-dimethoxyhexane-1,6-diamine oxide is sourced from PubChem (CID 163773390), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).