dodecyl-dimethyl-(naphthalen-1-ylmethyl)azanium hydroxide

C25H41NO — CID 88833984

IUPACdodecyl-dimethyl-(naphthalen-1-ylmethyl)azanium hydroxide
SMILESCCCCCCCCCCCC[N+](C)(C)Cc1cccc2ccccc12.[OH-]
InChIInChI=1S/C25H40N.H2O/c1-4-5-6-7-8-9-10-11-12-15-21-26(2,3)22-24-19-16-18-23-17-13-14-20-25(23)24;/h13-14,16-20H,4-12,15,21-22H2,1-3H3;1H2/q+1;/p-1
InChIKeyIQKTWYSRUXNAGO-UHFFFAOYSA-M
MW371.61 g/mol
LogP7.16
Rot. Bonds13

About dodecyl-dimethyl-(naphthalen-1-ylmethyl)azanium hydroxide

dodecyl-dimethyl-(naphthalen-1-ylmethyl)azanium hydroxide (PubChem CID 88833984) has the molecular formula C25H41NO and a molecular weight of 371.61 g/mol. Its IUPAC name is dodecyl-dimethyl-(naphthalen-1-ylmethyl)azanium hydroxide.

Molecular Properties

Compound Namedodecyl-dimethyl-(naphthalen-1-ylmethyl)azanium hydroxide
PubChem CID88833984
Molecular FormulaC25H41NO
Molecular Weight371.61 g/mol
Exact Mass371.32
IUPAC Namedodecyl-dimethyl-(naphthalen-1-ylmethyl)azanium hydroxide
SMILESCCCCCCCCCCCC[N+](C)(C)Cc1cccc2ccccc12.[OH-]
InChIInChI=1S/C25H40N.H2O/c1-4-5-6-7-8-9-10-11-12-15-21-26(2,3)22-24-19-16-18-23-17-13-14-20-25(23)24;/h13-14,16-20H,4-12,15,21-22H2,1-3H3;1H2/q+1;/p-1
InChIKeyIQKTWYSRUXNAGO-UHFFFAOYSA-M
XLogP7.16
TPSA30.00 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds13
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500371.61
LogP ≤ 57.16
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

decyl-[[2-(hydroxymethyl)phenyl]methyl]-dimethylazanium chloride
CID 141352392
1-tetradecylnaphthalene
CID 14402128
benzyl-dimethyl-octadecylazanium;benzyl-hexadecyl-dimethylazanium
CID 159179523
benzyl-dimethyl-octylazanium
CID 13741
hexadecyl-[[2-(1-hydroxyethyl)phenyl]methyl]-dimethylazanium
CID 122611057
(2-ethenylphenyl)methyl-dimethyl-octadecylazanium chloride
CID 18541931
2-(dimethylamino)ethyl-dimethyl-(naphthalen-1-ylmethyl)azanium
CID 101160835
benzyl-dodecyl-dimethylazanium bromide
CID 23705
tris(benzyl-dodecyl-dimethylazanium);tribromide
CID 155665719
benzyl-heptyl-dimethylazanium chloride
CID 23274918
benzyl-dimethyl-octylazanium;benzyl-dodecyl-dimethylazanium;difluoride
CID 162146991
potassium;hydride;1-octylnaphthalene
CID 173443599

Frequently Asked Questions

What is the IUPAC name of dodecyl-dimethyl-(naphthalen-1-ylmethyl)azanium hydroxide?
The IUPAC name of dodecyl-dimethyl-(naphthalen-1-ylmethyl)azanium hydroxide (CID 88833984) is dodecyl-dimethyl-(naphthalen-1-ylmethyl)azanium hydroxide.
What is the SMILES notation for dodecyl-dimethyl-(naphthalen-1-ylmethyl)azanium hydroxide?
The canonical SMILES for dodecyl-dimethyl-(naphthalen-1-ylmethyl)azanium hydroxide is CCCCCCCCCCCC[N+](C)(C)Cc1cccc2ccccc12.[OH-].
What is the InChIKey of dodecyl-dimethyl-(naphthalen-1-ylmethyl)azanium hydroxide?
The InChIKey is IQKTWYSRUXNAGO-UHFFFAOYSA-M. The full InChI is InChI=1S/C25H40N.H2O/c1-4-5-6-7-8-9-10-11-12-15-21-26(2,3)22-24-19-16-18-23-17-13-14-20-25(23)24;/h13-14,16-20H,4-12,15,21-22H2,1-3H3;1H2/q+1;/p-1.
What are the key properties of dodecyl-dimethyl-(naphthalen-1-ylmethyl)azanium hydroxide?
dodecyl-dimethyl-(naphthalen-1-ylmethyl)azanium hydroxide has a molecular weight of 371.61 g/mol, XLogP of 7.16, 13 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for dodecyl-dimethyl-(naphthalen-1-ylmethyl)azanium hydroxide is sourced from PubChem (CID 88833984), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).