(dimethylamino)methyl-[(dimethylazaniumyl)methyl]-diphenylboranuide

C18H27BN2 — CID 139133424

IUPAC(dimethylamino)methyl-[(dimethylazaniumyl)methyl]-diphenylboranuide
SMILESCN(C)C[B-](C[NH+](C)C)(c1ccccc1)c1ccccc1
InChIInChI=1S/C18H26BN2/c1-20(2)15-19(16-21(3)4,17-11-7-5-8-12-17)18-13-9-6-10-14-18/h5-14H,15-16H2,1-4H3/q-1/p+1
InChIKeyYQQJYZNQDCDMHU-UHFFFAOYSA-O
MW282.24 g/mol
LogP0.03
Rot. Bonds6

About (dimethylamino)methyl-[(dimethylazaniumyl)methyl]-diphenylboranuide

(dimethylamino)methyl-[(dimethylazaniumyl)methyl]-diphenylboranuide (PubChem CID 139133424) has the molecular formula C18H27BN2 and a molecular weight of 282.24 g/mol. Its IUPAC name is (dimethylamino)methyl-[(dimethylazaniumyl)methyl]-diphenylboranuide.

Molecular Properties

Compound Name(dimethylamino)methyl-[(dimethylazaniumyl)methyl]-diphenylboranuide
PubChem CID139133424
Molecular FormulaC18H27BN2
Molecular Weight282.24 g/mol
Exact Mass282.23
IUPAC Name(dimethylamino)methyl-[(dimethylazaniumyl)methyl]-diphenylboranuide
SMILESCN(C)C[B-](C[NH+](C)C)(c1ccccc1)c1ccccc1
InChIInChI=1S/C18H26BN2/c1-20(2)15-19(16-21(3)4,17-11-7-5-8-12-17)18-13-9-6-10-14-18/h5-14H,15-16H2,1-4H3/q-1/p+1
InChIKeyYQQJYZNQDCDMHU-UHFFFAOYSA-O
XLogP0.03
TPSA7.68 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.24
LogP ≤ 50.03
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of (dimethylamino)methyl-[(dimethylazaniumyl)methyl]-diphenylboranuide?
The IUPAC name of (dimethylamino)methyl-[(dimethylazaniumyl)methyl]-diphenylboranuide (CID 139133424) is (dimethylamino)methyl-[(dimethylazaniumyl)methyl]-diphenylboranuide.
What is the SMILES notation for (dimethylamino)methyl-[(dimethylazaniumyl)methyl]-diphenylboranuide?
The canonical SMILES for (dimethylamino)methyl-[(dimethylazaniumyl)methyl]-diphenylboranuide is CN(C)C[B-](C[NH+](C)C)(c1ccccc1)c1ccccc1.
What is the InChIKey of (dimethylamino)methyl-[(dimethylazaniumyl)methyl]-diphenylboranuide?
The InChIKey is YQQJYZNQDCDMHU-UHFFFAOYSA-O. The full InChI is InChI=1S/C18H26BN2/c1-20(2)15-19(16-21(3)4,17-11-7-5-8-12-17)18-13-9-6-10-14-18/h5-14H,15-16H2,1-4H3/q-1/p+1.
What are the key properties of (dimethylamino)methyl-[(dimethylazaniumyl)methyl]-diphenylboranuide?
(dimethylamino)methyl-[(dimethylazaniumyl)methyl]-diphenylboranuide has a molecular weight of 282.24 g/mol, XLogP of 0.03, 6 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (dimethylamino)methyl-[(dimethylazaniumyl)methyl]-diphenylboranuide is sourced from PubChem (CID 139133424), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).