N-dodecylmethanimine oxide

C13H27NO — CID 174690762

IUPACN-dodecylmethanimine oxide
SMILESC=[N+]([O-])CCCCCCCCCCCC
InChIInChI=1S/C13H27NO/c1-3-4-5-6-7-8-9-10-11-12-13-14(2)15/h2-13H2,1H3
InChIKeyDEVLUMAVMJDOMO-UHFFFAOYSA-N
MW213.36 g/mol
LogP4.12
Rot. Bonds11

About N-dodecylmethanimine oxide

N-dodecylmethanimine oxide (PubChem CID 174690762) has the molecular formula C13H27NO and a molecular weight of 213.36 g/mol. Its IUPAC name is N-dodecylmethanimine oxide.

Molecular Properties

Compound NameN-dodecylmethanimine oxide
PubChem CID174690762
Molecular FormulaC13H27NO
Molecular Weight213.36 g/mol
Exact Mass213.21
IUPAC NameN-dodecylmethanimine oxide
SMILESC=[N+]([O-])CCCCCCCCCCCC
InChIInChI=1S/C13H27NO/c1-3-4-5-6-7-8-9-10-11-12-13-14(2)15/h2-13H2,1H3
InChIKeyDEVLUMAVMJDOMO-UHFFFAOYSA-N
XLogP4.12
TPSA26.07 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds11
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500213.36
LogP ≤ 54.12
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}, {'alert_name': 'quaternary_nitrogen_1', 'substructure': 'N/A'}

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Related Compounds

1-nitrotriacontane
CID 154217337
dodecyl-hydroxyimino-oxidoazanium
CID 163791122
hexyl-oxido-oxidoiminoazanium
CID 177438767
ethene;undecane
CID 161157037
henoctacontane
CID 22086342
hexacosane;octacosane
CID 158944700
bis(decane);hexane
CID 158666782
decane;heptane
CID 159049036
hexadecane;pentadecane
CID 159687875
dooctacontane
CID 522649
CID 161246447
CID 161246447
dohexacontane
CID 522644

Frequently Asked Questions

What is the IUPAC name of N-dodecylmethanimine oxide?
The IUPAC name of N-dodecylmethanimine oxide (CID 174690762) is N-dodecylmethanimine oxide.
What is the SMILES notation for N-dodecylmethanimine oxide?
The canonical SMILES for N-dodecylmethanimine oxide is C=[N+]([O-])CCCCCCCCCCCC.
What is the InChIKey of N-dodecylmethanimine oxide?
The InChIKey is DEVLUMAVMJDOMO-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H27NO/c1-3-4-5-6-7-8-9-10-11-12-13-14(2)15/h2-13H2,1H3.
What are the key properties of N-dodecylmethanimine oxide?
N-dodecylmethanimine oxide has a molecular weight of 213.36 g/mol, XLogP of 4.12, 11 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-dodecylmethanimine oxide is sourced from PubChem (CID 174690762), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).