N-methylgallanylmethanamine

C2H8GaN — CID 157477091

IUPACN-methylgallanylmethanamine
SMILESCN[GaH]C
InChIInChI=1S/CH4N.CH3.Ga.H/c1-2;;;/h2H,1H3;1H3;;/q-1;;+1;
InChIKeyRDAOKRXWABMZKB-UHFFFAOYSA-N
MW115.82 g/mol
LogP-0.39
Rot. Bonds1

About N-methylgallanylmethanamine

N-methylgallanylmethanamine (PubChem CID 157477091) has the molecular formula C2H8GaN and a molecular weight of 115.82 g/mol. Its IUPAC name is N-methylgallanylmethanamine.

Molecular Properties

Compound NameN-methylgallanylmethanamine
PubChem CID157477091
Molecular FormulaC2H8GaN
Molecular Weight115.82 g/mol
Exact Mass114.99
IUPAC NameN-methylgallanylmethanamine
SMILESCN[GaH]C
InChIInChI=1S/CH4N.CH3.Ga.H/c1-2;;;/h2H,1H3;1H3;;/q-1;;+1;
InChIKeyRDAOKRXWABMZKB-UHFFFAOYSA-N
XLogP-0.39
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms4
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500115.82
LogP ≤ 5-0.39
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of N-methylgallanylmethanamine?
The IUPAC name of N-methylgallanylmethanamine (CID 157477091) is N-methylgallanylmethanamine.
What is the SMILES notation for N-methylgallanylmethanamine?
The canonical SMILES for N-methylgallanylmethanamine is CN[GaH]C.
What is the InChIKey of N-methylgallanylmethanamine?
The InChIKey is RDAOKRXWABMZKB-UHFFFAOYSA-N. The full InChI is InChI=1S/CH4N.CH3.Ga.H/c1-2;;;/h2H,1H3;1H3;;/q-1;;+1;.
What are the key properties of N-methylgallanylmethanamine?
N-methylgallanylmethanamine has a molecular weight of 115.82 g/mol, XLogP of -0.39, 1 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-methylgallanylmethanamine is sourced from PubChem (CID 157477091), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).