N-dodecyldodecan-1-amine oxide

C24H51NO — CID 22112105

IUPACN-dodecyldodecan-1-amine oxide
SMILESCCCCCCCCCCCC[NH+]([O-])CCCCCCCCCCCC
InChIInChI=1S/C24H51NO/c1-3-5-7-9-11-13-15-17-19-21-23-25(26)24-22-20-18-16-14-12-10-8-6-4-2/h25H,3-24H2,1-2H3
InChIKeyZNGVPZXFRBRHSD-UHFFFAOYSA-N
MW369.68 g/mol
LogP7.21
Rot. Bonds22

About N-dodecyldodecan-1-amine oxide

N-dodecyldodecan-1-amine oxide (PubChem CID 22112105) has the molecular formula C24H51NO and a molecular weight of 369.68 g/mol. Its IUPAC name is N-dodecyldodecan-1-amine oxide.

Molecular Properties

Compound NameN-dodecyldodecan-1-amine oxide
PubChem CID22112105
Molecular FormulaC24H51NO
Molecular Weight369.68 g/mol
Exact Mass369.40
IUPAC NameN-dodecyldodecan-1-amine oxide
SMILESCCCCCCCCCCCC[NH+]([O-])CCCCCCCCCCCC
InChIInChI=1S/C24H51NO/c1-3-5-7-9-11-13-15-17-19-21-23-25(26)24-22-20-18-16-14-12-10-8-6-4-2/h25H,3-24H2,1-2H3
InChIKeyZNGVPZXFRBRHSD-UHFFFAOYSA-N
XLogP7.21
TPSA27.50 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds22
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500369.68
LogP ≤ 57.21
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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-propylpentadecan-1-amine oxide
CID 174870712
N-propyloctadecan-1-amine oxide
CID 87073468
dodecane;N-propylpropan-1-amine oxide
CID 174371620
(Z)-N-[(Z)-octadec-9-enyl]octadec-9-en-1-amine oxide
CID 139805928
N-(2,2-dihydroxyethyl)hexacosan-1-amine oxide
CID 139792359
N-(2-phenylethyl)heptadecan-1-amine oxide
CID 122612686
N-(2-phenylethyl)undecan-1-amine oxide
CID 122613317
8-methyl-N-propylnonan-1-amine oxide
CID 140968134
iodomethane;octadecane
CID 174964097
trihexylazanium bromide
CID 54105866
tridodecylazanium iodide
CID 23216258
trioctylazanium hydroxide
CID 22253318

Frequently Asked Questions

What is the IUPAC name of N-dodecyldodecan-1-amine oxide?
The IUPAC name of N-dodecyldodecan-1-amine oxide (CID 22112105) is N-dodecyldodecan-1-amine oxide.
What is the SMILES notation for N-dodecyldodecan-1-amine oxide?
The canonical SMILES for N-dodecyldodecan-1-amine oxide is CCCCCCCCCCCC[NH+]([O-])CCCCCCCCCCCC.
What is the InChIKey of N-dodecyldodecan-1-amine oxide?
The InChIKey is ZNGVPZXFRBRHSD-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H51NO/c1-3-5-7-9-11-13-15-17-19-21-23-25(26)24-22-20-18-16-14-12-10-8-6-4-2/h25H,3-24H2,1-2H3.
What are the key properties of N-dodecyldodecan-1-amine oxide?
N-dodecyldodecan-1-amine oxide has a molecular weight of 369.68 g/mol, XLogP of 7.21, 22 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-dodecyldodecan-1-amine oxide is sourced from PubChem (CID 22112105), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).