N-[methylamino-(2,4,6-trimethylphenyl)boranyl]methanamine

C11H19BN2 — CID 174046640

IUPACN-[methylamino-(2,4,6-trimethylphenyl)boranyl]methanamine
SMILESCNB(NC)c1c(C)cc(C)cc1C
InChIInChI=1S/C11H19BN2/c1-8-6-9(2)11(10(3)7-8)12(13-4)14-5/h6-7,13-14H,1-5H3
InChIKeyXEQQIIONKWKTJT-UHFFFAOYSA-N
MW190.10 g/mol
LogP0.75
Rot. Bonds3

About N-[methylamino-(2,4,6-trimethylphenyl)boranyl]methanamine

N-[methylamino-(2,4,6-trimethylphenyl)boranyl]methanamine (PubChem CID 174046640) has the molecular formula C11H19BN2 and a molecular weight of 190.10 g/mol. Its IUPAC name is N-[methylamino-(2,4,6-trimethylphenyl)boranyl]methanamine.

Molecular Properties

Compound NameN-[methylamino-(2,4,6-trimethylphenyl)boranyl]methanamine
PubChem CID174046640
Molecular FormulaC11H19BN2
Molecular Weight190.10 g/mol
Exact Mass190.16
IUPAC NameN-[methylamino-(2,4,6-trimethylphenyl)boranyl]methanamine
SMILESCNB(NC)c1c(C)cc(C)cc1C
InChIInChI=1S/C11H19BN2/c1-8-6-9(2)11(10(3)7-8)12(13-4)14-5/h6-7,13-14H,1-5H3
InChIKeyXEQQIIONKWKTJT-UHFFFAOYSA-N
XLogP0.75
TPSA24.06 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500190.10
LogP ≤ 50.75
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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 N-[methylamino-(2,4,6-trimethylphenyl)boranyl]methanamine?
The IUPAC name of N-[methylamino-(2,4,6-trimethylphenyl)boranyl]methanamine (CID 174046640) is N-[methylamino-(2,4,6-trimethylphenyl)boranyl]methanamine.
What is the SMILES notation for N-[methylamino-(2,4,6-trimethylphenyl)boranyl]methanamine?
The canonical SMILES for N-[methylamino-(2,4,6-trimethylphenyl)boranyl]methanamine is CNB(NC)c1c(C)cc(C)cc1C.
What is the InChIKey of N-[methylamino-(2,4,6-trimethylphenyl)boranyl]methanamine?
The InChIKey is XEQQIIONKWKTJT-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H19BN2/c1-8-6-9(2)11(10(3)7-8)12(13-4)14-5/h6-7,13-14H,1-5H3.
What are the key properties of N-[methylamino-(2,4,6-trimethylphenyl)boranyl]methanamine?
N-[methylamino-(2,4,6-trimethylphenyl)boranyl]methanamine has a molecular weight of 190.10 g/mol, XLogP of 0.75, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[methylamino-(2,4,6-trimethylphenyl)boranyl]methanamine is sourced from PubChem (CID 174046640), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).