N-dimethylboranyl-N-methylaniline

C9H14BN — CID 5326242

IUPACN-dimethylboranyl-N-methylaniline
SMILESCB(C)N(C)c1ccccc1
InChIInChI=1S/C9H14BN/c1-10(2)11(3)9-7-5-4-6-8-9/h4-8H,1-3H3
InChIKeySVICPIGMPRKUGA-UHFFFAOYSA-N
MW147.03 g/mol
LogP2.37
Rot. Bonds2

About N-dimethylboranyl-N-methylaniline

N-dimethylboranyl-N-methylaniline (PubChem CID 5326242) has the molecular formula C9H14BN and a molecular weight of 147.03 g/mol. Its IUPAC name is N-dimethylboranyl-N-methylaniline.

Molecular Properties

Compound NameN-dimethylboranyl-N-methylaniline
PubChem CID5326242
Molecular FormulaC9H14BN
Molecular Weight147.03 g/mol
Exact Mass147.12
IUPAC NameN-dimethylboranyl-N-methylaniline
SMILESCB(C)N(C)c1ccccc1
InChIInChI=1S/C9H14BN/c1-10(2)11(3)9-7-5-4-6-8-9/h4-8H,1-3H3
InChIKeySVICPIGMPRKUGA-UHFFFAOYSA-N
XLogP2.37
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500147.03
LogP ≤ 52.37
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

N,N-dimethylaniline
CID 70392672
N-[ethyl(phenyl)boranyl]-N-methylaniline
CID 102118221
ethane;bis(N-methyl-N-phenylaniline)
CID 160716887
CID 69241188
CID 69241188
N,N-dimethylaniline;mercury
CID 158660084
N,N-dimethylaniline;hydrofluoride
CID 160775229
N,N-dimethylaniline;hydron
CID 174471199
N,N-dimethylaniline;nickel
CID 158294400
N,N-dimethylaniline;osmium(4+)
CID 172845967
N,N-dimethylaniline;methanol
CID 143205399
(N-methylanilino)phosphanium
CID 163691673
ethene;N-methyl-N-phenylaniline
CID 144541479

Frequently Asked Questions

What is the IUPAC name of N-dimethylboranyl-N-methylaniline?
The IUPAC name of N-dimethylboranyl-N-methylaniline (CID 5326242) is N-dimethylboranyl-N-methylaniline.
What is the SMILES notation for N-dimethylboranyl-N-methylaniline?
The canonical SMILES for N-dimethylboranyl-N-methylaniline is CB(C)N(C)c1ccccc1.
What is the InChIKey of N-dimethylboranyl-N-methylaniline?
The InChIKey is SVICPIGMPRKUGA-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H14BN/c1-10(2)11(3)9-7-5-4-6-8-9/h4-8H,1-3H3.
What are the key properties of N-dimethylboranyl-N-methylaniline?
N-dimethylboranyl-N-methylaniline has a molecular weight of 147.03 g/mol, XLogP of 2.37, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-dimethylboranyl-N-methylaniline is sourced from PubChem (CID 5326242), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).