N-ethyl-N-methylgallanylethanamine

C5H14GaN — CID 173471238

IUPACN-ethyl-N-methylgallanylethanamine
SMILESCCN(CC)[GaH]C
InChIInChI=1S/C4H10N.CH3.Ga.H/c1-3-5-4-2;;;/h3-4H2,1-2H3;1H3;;/q-1;;+1;
InChIKeyIPYQPSYNCWCMAE-UHFFFAOYSA-N
MW157.90 g/mol
LogP0.73
Rot. Bonds3

About N-ethyl-N-methylgallanylethanamine

N-ethyl-N-methylgallanylethanamine (PubChem CID 173471238) has the molecular formula C5H14GaN and a molecular weight of 157.90 g/mol. Its IUPAC name is N-ethyl-N-methylgallanylethanamine.

Molecular Properties

Compound NameN-ethyl-N-methylgallanylethanamine
PubChem CID173471238
Molecular FormulaC5H14GaN
Molecular Weight157.90 g/mol
Exact Mass157.04
IUPAC NameN-ethyl-N-methylgallanylethanamine
SMILESCCN(CC)[GaH]C
InChIInChI=1S/C4H10N.CH3.Ga.H/c1-3-5-4-2;;;/h3-4H2,1-2H3;1H3;;/q-1;;+1;
InChIKeyIPYQPSYNCWCMAE-UHFFFAOYSA-N
XLogP0.73
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms7
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500157.90
LogP ≤ 50.73
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of N-ethyl-N-methylgallanylethanamine?
The IUPAC name of N-ethyl-N-methylgallanylethanamine (CID 173471238) is N-ethyl-N-methylgallanylethanamine.
What is the SMILES notation for N-ethyl-N-methylgallanylethanamine?
The canonical SMILES for N-ethyl-N-methylgallanylethanamine is CCN(CC)[GaH]C.
What is the InChIKey of N-ethyl-N-methylgallanylethanamine?
The InChIKey is IPYQPSYNCWCMAE-UHFFFAOYSA-N. The full InChI is InChI=1S/C4H10N.CH3.Ga.H/c1-3-5-4-2;;;/h3-4H2,1-2H3;1H3;;/q-1;;+1;.
What are the key properties of N-ethyl-N-methylgallanylethanamine?
N-ethyl-N-methylgallanylethanamine has a molecular weight of 157.90 g/mol, XLogP of 0.73, 3 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-N-methylgallanylethanamine is sourced from PubChem (CID 173471238), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).