1-pentan-3-yl-1,6-azagallecane

C13H28GaN — CID 173385251

IUPAC1-pentan-3-yl-1,6-azagallecane
SMILESCCC(CC)N1CCCC[GaH]CCCC1
InChIInChI=1S/C13H27N.Ga.H/c1-5-9-11-14(12-10-6-2)13(7-3)8-4;;/h13H,1-2,5-12H2,3-4H3;;
InChIKeyYURHSESSUACFMC-UHFFFAOYSA-N
MW268.10 g/mol
LogP3.32
Rot. Bonds3

About 1-pentan-3-yl-1,6-azagallecane

1-pentan-3-yl-1,6-azagallecane (PubChem CID 173385251) has the molecular formula C13H28GaN and a molecular weight of 268.10 g/mol. Its IUPAC name is 1-pentan-3-yl-1,6-azagallecane.

Molecular Properties

Compound Name1-pentan-3-yl-1,6-azagallecane
PubChem CID173385251
Molecular FormulaC13H28GaN
Molecular Weight268.10 g/mol
Exact Mass267.15
IUPAC Name1-pentan-3-yl-1,6-azagallecane
SMILESCCC(CC)N1CCCC[GaH]CCCC1
InChIInChI=1S/C13H27N.Ga.H/c1-5-9-11-14(12-10-6-2)13(7-3)8-4;;/h13H,1-2,5-12H2,3-4H3;;
InChIKeyYURHSESSUACFMC-UHFFFAOYSA-N
XLogP3.32
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500268.10
LogP ≤ 53.32
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 1-pentan-3-yl-1,6-azagallecane?
The IUPAC name of 1-pentan-3-yl-1,6-azagallecane (CID 173385251) is 1-pentan-3-yl-1,6-azagallecane.
What is the SMILES notation for 1-pentan-3-yl-1,6-azagallecane?
The canonical SMILES for 1-pentan-3-yl-1,6-azagallecane is CCC(CC)N1CCCC[GaH]CCCC1.
What is the InChIKey of 1-pentan-3-yl-1,6-azagallecane?
The InChIKey is YURHSESSUACFMC-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H27N.Ga.H/c1-5-9-11-14(12-10-6-2)13(7-3)8-4;;/h13H,1-2,5-12H2,3-4H3;;.
What are the key properties of 1-pentan-3-yl-1,6-azagallecane?
1-pentan-3-yl-1,6-azagallecane has a molecular weight of 268.10 g/mol, XLogP of 3.32, 3 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-pentan-3-yl-1,6-azagallecane is sourced from PubChem (CID 173385251), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).