boranuide;trimethyl(tributoxymethyl)azanium

C16H40BNO3 — CID 175509370

IUPACboranuide;trimethyl(tributoxymethyl)azanium
SMILESCCCCOC(OCCCC)(OCCCC)[N+](C)(C)C.[BH4-]
InChIInChI=1S/C16H36NO3.BH4/c1-7-10-13-18-16(17(4,5)6,19-14-11-8-2)20-15-12-9-3;/h7-15H2,1-6H3;1H4/q+1;-1
InChIKeyJRQOCCZGXCWAQM-UHFFFAOYSA-N
MW305.31 g/mol
LogP2.30
Rot. Bonds13

About boranuide;trimethyl(tributoxymethyl)azanium

boranuide;trimethyl(tributoxymethyl)azanium (PubChem CID 175509370) has the molecular formula C16H40BNO3 and a molecular weight of 305.31 g/mol. Its IUPAC name is boranuide;trimethyl(tributoxymethyl)azanium.

Molecular Properties

Compound Nameboranuide;trimethyl(tributoxymethyl)azanium
PubChem CID175509370
Molecular FormulaC16H40BNO3
Molecular Weight305.31 g/mol
Exact Mass305.31
IUPAC Nameboranuide;trimethyl(tributoxymethyl)azanium
SMILESCCCCOC(OCCCC)(OCCCC)[N+](C)(C)C.[BH4-]
InChIInChI=1S/C16H36NO3.BH4/c1-7-10-13-18-16(17(4,5)6,19-14-11-8-2)20-15-12-9-3;/h7-15H2,1-6H3;1H4/q+1;-1
InChIKeyJRQOCCZGXCWAQM-UHFFFAOYSA-N
XLogP2.30
TPSA27.69 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds13
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500305.31
LogP ≤ 52.30
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'heavy_metal', 'substructure': 'N/A'}, {'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}, {'alert_name': 'quaternary_nitrogen_2', 'substructure': 'N/A'}

Analyze boranuide;trimethyl(tributoxymethyl)azanium with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

1-[dibutoxy(tributoxymethoxy)methoxy]butane
CID 150729336
5,5-dibutoxynonane
CID 89440038
[butoxy(diethoxy)methyl]silane
CID 3022902
1-butoxypropane-1,1-diamine
CID 87535027
5,6-dibutoxy-5,6-dimethyldecane
CID 152500539
2,2-dibutoxypropan-1-ol
CID 145497919
hafnium;2,2,2-tributoxyethanol
CID 175773541
1-(1,1,2,2-tetrabromoethoxy)butane
CID 134894303
3-butoxy-3-ethyloctane
CID 156635634
[bromo(dibutoxy)methyl]-methylsilane
CID 173219154
1-(1-butoxy-1-phosphorosoethoxy)butane
CID 54326502
1-butoxy-4-(trifluoromethoxy)butane
CID 152923004

Frequently Asked Questions

What is the IUPAC name of boranuide;trimethyl(tributoxymethyl)azanium?
The IUPAC name of boranuide;trimethyl(tributoxymethyl)azanium (CID 175509370) is boranuide;trimethyl(tributoxymethyl)azanium.
What is the SMILES notation for boranuide;trimethyl(tributoxymethyl)azanium?
The canonical SMILES for boranuide;trimethyl(tributoxymethyl)azanium is CCCCOC(OCCCC)(OCCCC)[N+](C)(C)C.[BH4-].
What is the InChIKey of boranuide;trimethyl(tributoxymethyl)azanium?
The InChIKey is JRQOCCZGXCWAQM-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H36NO3.BH4/c1-7-10-13-18-16(17(4,5)6,19-14-11-8-2)20-15-12-9-3;/h7-15H2,1-6H3;1H4/q+1;-1.
What are the key properties of boranuide;trimethyl(tributoxymethyl)azanium?
boranuide;trimethyl(tributoxymethyl)azanium has a molecular weight of 305.31 g/mol, XLogP of 2.30, 13 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for boranuide;trimethyl(tributoxymethyl)azanium is sourced from PubChem (CID 175509370), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).