azaniumyl(methyl)boranuide;butane;methane

C15H52BN — CID 160862312

IUPACazaniumyl(methyl)boranuide;butane;methane
SMILESC.C.C.C.C.C.CCCC.CCCC.C[BH2-][NH3+]
InChIInChI=1S/2C4H10.CH8BN.6CH4/c2*1-3-4-2;1-2-3;;;;;;/h2*3-4H2,1-2H3;2H2,1,3H3;6*1H4
InChIKeySKQMRHCHRXWRTN-UHFFFAOYSA-N
MW257.40 g/mol
LogP5.79
Rot. Bonds2

About azaniumyl(methyl)boranuide;butane;methane

azaniumyl(methyl)boranuide;butane;methane (PubChem CID 160862312) has the molecular formula C15H52BN and a molecular weight of 257.40 g/mol. Its IUPAC name is azaniumyl(methyl)boranuide;butane;methane.

Molecular Properties

Compound Nameazaniumyl(methyl)boranuide;butane;methane
PubChem CID160862312
Molecular FormulaC15H52BN
Molecular Weight257.40 g/mol
Exact Mass257.42
IUPAC Nameazaniumyl(methyl)boranuide;butane;methane
SMILESC.C.C.C.C.C.CCCC.CCCC.C[BH2-][NH3+]
InChIInChI=1S/2C4H10.CH8BN.6CH4/c2*1-3-4-2;1-2-3;;;;;;/h2*3-4H2,1-2H3;2H2,1,3H3;6*1H4
InChIKeySKQMRHCHRXWRTN-UHFFFAOYSA-N
XLogP5.79
TPSA27.64 Ų
H-Bond Donors1
H-Bond Acceptors
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500257.40
LogP ≤ 55.79
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

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

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Related Compounds

butane;methane
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butane;methane
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butane;methane
CID 158764755
butane;methane
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butane;ethane;methane
CID 162200509
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CID 161391432
butane;deuterium monohydride;methane
CID 157488506
butane;methane;molecular iodine
CID 158060894
azane;butane
CID 18518846
argon;butane
CID 157343960
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CID 173047512
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CID 175321374

Frequently Asked Questions

What is the IUPAC name of azaniumyl(methyl)boranuide;butane;methane?
The IUPAC name of azaniumyl(methyl)boranuide;butane;methane (CID 160862312) is azaniumyl(methyl)boranuide;butane;methane.
What is the SMILES notation for azaniumyl(methyl)boranuide;butane;methane?
The canonical SMILES for azaniumyl(methyl)boranuide;butane;methane is C.C.C.C.C.C.CCCC.CCCC.C[BH2-][NH3+].
What is the InChIKey of azaniumyl(methyl)boranuide;butane;methane?
The InChIKey is SKQMRHCHRXWRTN-UHFFFAOYSA-N. The full InChI is InChI=1S/2C4H10.CH8BN.6CH4/c2*1-3-4-2;1-2-3;;;;;;/h2*3-4H2,1-2H3;2H2,1,3H3;6*1H4.
What are the key properties of azaniumyl(methyl)boranuide;butane;methane?
azaniumyl(methyl)boranuide;butane;methane has a molecular weight of 257.40 g/mol, XLogP of 5.79, 2 rotatable bonds, 1 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for azaniumyl(methyl)boranuide;butane;methane is sourced from PubChem (CID 160862312), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).