N,N-dimethyl-2-[methyl(phenyl)gallanyl]ethenamine

C11H16GaN — CID 173313222

IUPACN,N-dimethyl-2-[methyl(phenyl)gallanyl]ethenamine
SMILESCN(C)C=C[Ga](C)c1ccccc1
InChIInChI=1S/C6H5.C4H8N.CH3.Ga/c1-2-4-6-5-3-1;1-4-5(2)3;;/h1-5H;1,4H,2-3H3;1H3;
InChIKeyGEFUNBYNKDLWFJ-UHFFFAOYSA-N
MW231.98 g/mol
LogP1.63
Rot. Bonds3

About N,N-dimethyl-2-[methyl(phenyl)gallanyl]ethenamine

N,N-dimethyl-2-[methyl(phenyl)gallanyl]ethenamine (PubChem CID 173313222) has the molecular formula C11H16GaN and a molecular weight of 231.98 g/mol. Its IUPAC name is N,N-dimethyl-2-[methyl(phenyl)gallanyl]ethenamine.

Molecular Properties

Compound NameN,N-dimethyl-2-[methyl(phenyl)gallanyl]ethenamine
PubChem CID173313222
Molecular FormulaC11H16GaN
Molecular Weight231.98 g/mol
Exact Mass231.05
IUPAC NameN,N-dimethyl-2-[methyl(phenyl)gallanyl]ethenamine
SMILESCN(C)C=C[Ga](C)c1ccccc1
InChIInChI=1S/C6H5.C4H8N.CH3.Ga/c1-2-4-6-5-3-1;1-4-5(2)3;;/h1-5H;1,4H,2-3H3;1H3;
InChIKeyGEFUNBYNKDLWFJ-UHFFFAOYSA-N
XLogP1.63
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500231.98
LogP ≤ 51.63
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of N,N-dimethyl-2-[methyl(phenyl)gallanyl]ethenamine?
The IUPAC name of N,N-dimethyl-2-[methyl(phenyl)gallanyl]ethenamine (CID 173313222) is N,N-dimethyl-2-[methyl(phenyl)gallanyl]ethenamine.
What is the SMILES notation for N,N-dimethyl-2-[methyl(phenyl)gallanyl]ethenamine?
The canonical SMILES for N,N-dimethyl-2-[methyl(phenyl)gallanyl]ethenamine is CN(C)C=C[Ga](C)c1ccccc1.
What is the InChIKey of N,N-dimethyl-2-[methyl(phenyl)gallanyl]ethenamine?
The InChIKey is GEFUNBYNKDLWFJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H5.C4H8N.CH3.Ga/c1-2-4-6-5-3-1;1-4-5(2)3;;/h1-5H;1,4H,2-3H3;1H3;.
What are the key properties of N,N-dimethyl-2-[methyl(phenyl)gallanyl]ethenamine?
N,N-dimethyl-2-[methyl(phenyl)gallanyl]ethenamine has a molecular weight of 231.98 g/mol, XLogP of 1.63, 3 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N,N-dimethyl-2-[methyl(phenyl)gallanyl]ethenamine is sourced from PubChem (CID 173313222), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).