dimethyl(undecoxymethylidene)azanium

C14H30NO+ — CID 134896282

IUPACdimethyl(undecoxymethylidene)azanium
SMILESCCCCCCCCCCCOC=[N+](C)C
InChIInChI=1S/C14H30NO/c1-4-5-6-7-8-9-10-11-12-13-16-14-15(2)3/h14H,4-13H2,1-3H3/q+1
InChIKeyJVYHCMGMVOCUMR-UHFFFAOYSA-N
MW228.40 g/mol
LogP3.83
Rot. Bonds11

About dimethyl(undecoxymethylidene)azanium

dimethyl(undecoxymethylidene)azanium (PubChem CID 134896282) has the molecular formula C14H30NO+ and a molecular weight of 228.40 g/mol. Its IUPAC name is dimethyl(undecoxymethylidene)azanium.

Molecular Properties

Compound Namedimethyl(undecoxymethylidene)azanium
PubChem CID134896282
Molecular FormulaC14H30NO+
Molecular Weight228.40 g/mol
Exact Mass228.23
IUPAC Namedimethyl(undecoxymethylidene)azanium
SMILESCCCCCCCCCCCOC=[N+](C)C
InChIInChI=1S/C14H30NO/c1-4-5-6-7-8-9-10-11-12-13-16-14-15(2)3/h14H,4-13H2,1-3H3/q+1
InChIKeyJVYHCMGMVOCUMR-UHFFFAOYSA-N
XLogP3.83
TPSA12.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds11
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500228.40
LogP ≤ 53.83
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': 'imine_2', 'substructure': 'N/A'}, {'alert_name': 'quaternary_nitrogen_1', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of dimethyl(undecoxymethylidene)azanium?
The IUPAC name of dimethyl(undecoxymethylidene)azanium (CID 134896282) is dimethyl(undecoxymethylidene)azanium.
What is the SMILES notation for dimethyl(undecoxymethylidene)azanium?
The canonical SMILES for dimethyl(undecoxymethylidene)azanium is CCCCCCCCCCCOC=[N+](C)C.
What is the InChIKey of dimethyl(undecoxymethylidene)azanium?
The InChIKey is JVYHCMGMVOCUMR-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H30NO/c1-4-5-6-7-8-9-10-11-12-13-16-14-15(2)3/h14H,4-13H2,1-3H3/q+1.
What are the key properties of dimethyl(undecoxymethylidene)azanium?
dimethyl(undecoxymethylidene)azanium has a molecular weight of 228.40 g/mol, XLogP of 3.83, 11 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for dimethyl(undecoxymethylidene)azanium is sourced from PubChem (CID 134896282), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).