N-diphenylgallanylethanamine

C14H16GaN — CID 177465161

IUPACN-diphenylgallanylethanamine
SMILESCCN[Ga](c1ccccc1)c1ccccc1
InChIInChI=1S/2C6H5.C2H6N.Ga/c2*1-2-4-6-5-3-1;1-2-3;/h2*1-5H;3H,2H2,1H3;/q;;-1;+1
InChIKeyASYGKUNMDXOYOB-UHFFFAOYSA-N
MW268.01 g/mol
LogP1.40
Rot. Bonds4

About N-diphenylgallanylethanamine

N-diphenylgallanylethanamine (PubChem CID 177465161) has the molecular formula C14H16GaN and a molecular weight of 268.01 g/mol. Its IUPAC name is N-diphenylgallanylethanamine.

Molecular Properties

Compound NameN-diphenylgallanylethanamine
PubChem CID177465161
Molecular FormulaC14H16GaN
Molecular Weight268.01 g/mol
Exact Mass267.05
IUPAC NameN-diphenylgallanylethanamine
SMILESCCN[Ga](c1ccccc1)c1ccccc1
InChIInChI=1S/2C6H5.C2H6N.Ga/c2*1-2-4-6-5-3-1;1-2-3;/h2*1-5H;3H,2H2,1H3;/q;;-1;+1
InChIKeyASYGKUNMDXOYOB-UHFFFAOYSA-N
XLogP1.40
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500268.01
LogP ≤ 51.40
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of N-diphenylgallanylethanamine?
The IUPAC name of N-diphenylgallanylethanamine (CID 177465161) is N-diphenylgallanylethanamine.
What is the SMILES notation for N-diphenylgallanylethanamine?
The canonical SMILES for N-diphenylgallanylethanamine is CCN[Ga](c1ccccc1)c1ccccc1.
What is the InChIKey of N-diphenylgallanylethanamine?
The InChIKey is ASYGKUNMDXOYOB-UHFFFAOYSA-N. The full InChI is InChI=1S/2C6H5.C2H6N.Ga/c2*1-2-4-6-5-3-1;1-2-3;/h2*1-5H;3H,2H2,1H3;/q;;-1;+1.
What are the key properties of N-diphenylgallanylethanamine?
N-diphenylgallanylethanamine has a molecular weight of 268.01 g/mol, XLogP of 1.40, 4 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-diphenylgallanylethanamine is sourced from PubChem (CID 177465161), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).