N-dodecan-2-yloxy-N-methylmethanamine oxide

C14H31NO2 — CID 141082874

IUPACN-dodecan-2-yloxy-N-methylmethanamine oxide
SMILESCCCCCCCCCCC(C)O[N+](C)(C)[O-]
InChIInChI=1S/C14H31NO2/c1-5-6-7-8-9-10-11-12-13-14(2)17-15(3,4)16/h14H,5-13H2,1-4H3
InChIKeyBVZQZMNIPJWXNP-UHFFFAOYSA-N
MW245.41 g/mol
LogP4.41
Rot. Bonds11

About N-dodecan-2-yloxy-N-methylmethanamine oxide

N-dodecan-2-yloxy-N-methylmethanamine oxide (PubChem CID 141082874) has the molecular formula C14H31NO2 and a molecular weight of 245.41 g/mol. Its IUPAC name is N-dodecan-2-yloxy-N-methylmethanamine oxide.

Molecular Properties

Compound NameN-dodecan-2-yloxy-N-methylmethanamine oxide
PubChem CID141082874
Molecular FormulaC14H31NO2
Molecular Weight245.41 g/mol
Exact Mass245.24
IUPAC NameN-dodecan-2-yloxy-N-methylmethanamine oxide
SMILESCCCCCCCCCCC(C)O[N+](C)(C)[O-]
InChIInChI=1S/C14H31NO2/c1-5-6-7-8-9-10-11-12-13-14(2)17-15(3,4)16/h14H,5-13H2,1-4H3
InChIKeyBVZQZMNIPJWXNP-UHFFFAOYSA-N
XLogP4.41
TPSA32.29 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds11
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500245.41
LogP ≤ 54.41
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}, {'alert_name': 'quaternary_nitrogen_2', 'substructure': 'N/A'}

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Related Compounds

trimethyl(propyl)azanium;trimethyl(tetradecan-2-yloxy)azanium;dichloride
CID 141319254
trimethyl(octadecan-2-yloxy)azanium;trimethyl(propyl)azanium;dichloride
CID 141319246
hexan-2-yloxy(trimethyl)azanium
CID 174727929
2-(trifluoromethoxy)undecane
CID 150054524
1-hexadecan-2-yloxy-N,N,N',N'-tetramethylpropane-1,3-diamine oxide
CID 121468698
diethyl-hexadecan-2-yloxy-methylazanium;diethyl-methyl-propylazanium;dichloride
CID 141398272
tetradecan-2-yloxysilane
CID 173015270
2-ethoxytridecane
CID 54143367
O-hexadecan-2-ylhydroxylamine
CID 18799052
di(undecan-2-yloxy)silane
CID 123423274
1-octan-2-yloxydecane
CID 86220707
di(decan-2-yloxy)silane
CID 123195552

Frequently Asked Questions

What is the IUPAC name of N-dodecan-2-yloxy-N-methylmethanamine oxide?
The IUPAC name of N-dodecan-2-yloxy-N-methylmethanamine oxide (CID 141082874) is N-dodecan-2-yloxy-N-methylmethanamine oxide.
What is the SMILES notation for N-dodecan-2-yloxy-N-methylmethanamine oxide?
The canonical SMILES for N-dodecan-2-yloxy-N-methylmethanamine oxide is CCCCCCCCCCC(C)O[N+](C)(C)[O-].
What is the InChIKey of N-dodecan-2-yloxy-N-methylmethanamine oxide?
The InChIKey is BVZQZMNIPJWXNP-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H31NO2/c1-5-6-7-8-9-10-11-12-13-14(2)17-15(3,4)16/h14H,5-13H2,1-4H3.
What are the key properties of N-dodecan-2-yloxy-N-methylmethanamine oxide?
N-dodecan-2-yloxy-N-methylmethanamine oxide has a molecular weight of 245.41 g/mol, XLogP of 4.41, 11 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-dodecan-2-yloxy-N-methylmethanamine oxide is sourced from PubChem (CID 141082874), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).