N,N-dimethylmethanamine;hydron;tetrakis(4-methylphenyl)boranuide

C31H38BN — CID 175771685

IUPACN,N-dimethylmethanamine;hydron;tetrakis(4-methylphenyl)boranuide
SMILESCN(C)C.Cc1ccc([B-](c2ccc(C)cc2)(c2ccc(C)cc2)c2ccc(C)cc2)cc1.[H+]
InChIInChI=1S/C28H28B.C3H9N/c1-21-5-13-25(14-6-21)29(26-15-7-22(2)8-16-26,27-17-9-23(3)10-18-27)28-19-11-24(4)12-20-28;1-4(2)3/h5-20H,1-4H3;1-3H3/q-1;/p+1
InChIKeyIMAXQCGUYWLHIH-UHFFFAOYSA-O
MW435.46 g/mol
LogP4.59
Rot. Bonds4

About N,N-dimethylmethanamine;hydron;tetrakis(4-methylphenyl)boranuide

N,N-dimethylmethanamine;hydron;tetrakis(4-methylphenyl)boranuide (PubChem CID 175771685) has the molecular formula C31H38BN and a molecular weight of 435.46 g/mol. Its IUPAC name is N,N-dimethylmethanamine;hydron;tetrakis(4-methylphenyl)boranuide.

Molecular Properties

Compound NameN,N-dimethylmethanamine;hydron;tetrakis(4-methylphenyl)boranuide
PubChem CID175771685
Molecular FormulaC31H38BN
Molecular Weight435.46 g/mol
Exact Mass435.31
IUPAC NameN,N-dimethylmethanamine;hydron;tetrakis(4-methylphenyl)boranuide
SMILESCN(C)C.Cc1ccc([B-](c2ccc(C)cc2)(c2ccc(C)cc2)c2ccc(C)cc2)cc1.[H+]
InChIInChI=1S/C28H28B.C3H9N/c1-21-5-13-25(14-6-21)29(26-15-7-22(2)8-16-26,27-17-9-23(3)10-18-27)28-19-11-24(4)12-20-28;1-4(2)3/h5-20H,1-4H3;1-3H3/q-1;/p+1
InChIKeyIMAXQCGUYWLHIH-UHFFFAOYSA-O
XLogP4.59
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500435.46
LogP ≤ 54.59
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

tetrakis(4-methylphenyl)boranuide;triethylazanium
CID 21469884
methyl-tris(4-methylphenyl)boranuide
CID 11027958
(2-hydroxyphenyl)-tris(4-methylphenyl)boranuide
CID 87221940
tetrakis(4-methylphenyl)phosphanium;tetraphenylboranuide
CID 87662093
cobalt;bis(1,4-xylene)
CID 67859603
methane;pentakis(1,4-xylene)
CID 160760083
platinum;1,4-xylene
CID 173034643
4-methylbenzenediazonium;tetraphenylboranuide
CID 10836747
trimethoxy-(4-methylphenyl)boranuide
CID 101038733
4-N-[4-[4-(N,4-dimethylanilino)-N-methylanilino]phenyl]-1-N,4-N-dimethyl-1-N-(4-methylphenyl)benzene-1,4-diamine
CID 90265189
potassium;hydride;1,4-xylene
CID 173420414
lithium;hydride;1,4-xylene
CID 173349078

Frequently Asked Questions

What is the IUPAC name of N,N-dimethylmethanamine;hydron;tetrakis(4-methylphenyl)boranuide?
The IUPAC name of N,N-dimethylmethanamine;hydron;tetrakis(4-methylphenyl)boranuide (CID 175771685) is N,N-dimethylmethanamine;hydron;tetrakis(4-methylphenyl)boranuide.
What is the SMILES notation for N,N-dimethylmethanamine;hydron;tetrakis(4-methylphenyl)boranuide?
The canonical SMILES for N,N-dimethylmethanamine;hydron;tetrakis(4-methylphenyl)boranuide is CN(C)C.Cc1ccc([B-](c2ccc(C)cc2)(c2ccc(C)cc2)c2ccc(C)cc2)cc1.[H+].
What is the InChIKey of N,N-dimethylmethanamine;hydron;tetrakis(4-methylphenyl)boranuide?
The InChIKey is IMAXQCGUYWLHIH-UHFFFAOYSA-O. The full InChI is InChI=1S/C28H28B.C3H9N/c1-21-5-13-25(14-6-21)29(26-15-7-22(2)8-16-26,27-17-9-23(3)10-18-27)28-19-11-24(4)12-20-28;1-4(2)3/h5-20H,1-4H3;1-3H3/q-1;/p+1.
What are the key properties of N,N-dimethylmethanamine;hydron;tetrakis(4-methylphenyl)boranuide?
N,N-dimethylmethanamine;hydron;tetrakis(4-methylphenyl)boranuide has a molecular weight of 435.46 g/mol, XLogP of 4.59, 4 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N,N-dimethylmethanamine;hydron;tetrakis(4-methylphenyl)boranuide is sourced from PubChem (CID 175771685), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).