18-ethyl-19-methyl-19-azabicyclo[15.3.0]icosane

C22H43N — CID 174195083

IUPAC18-ethyl-19-methyl-19-azabicyclo[15.3.0]icosane
SMILESCCC1C2CCCCCCCCCCCCCCCC2CN1C
InChIInChI=1S/C22H43N/c1-3-22-21-18-16-14-12-10-8-6-4-5-7-9-11-13-15-17-20(21)19-23(22)2/h20-22H,3-19H2,1-2H3
InChIKeyBTEFUCOCKSLDQM-UHFFFAOYSA-N
MW321.59 g/mol
LogP6.81
Rot. Bonds1

About 18-ethyl-19-methyl-19-azabicyclo[15.3.0]icosane

18-ethyl-19-methyl-19-azabicyclo[15.3.0]icosane (PubChem CID 174195083) has the molecular formula C22H43N and a molecular weight of 321.59 g/mol. Its IUPAC name is 18-ethyl-19-methyl-19-azabicyclo[15.3.0]icosane.

Molecular Properties

Compound Name18-ethyl-19-methyl-19-azabicyclo[15.3.0]icosane
PubChem CID174195083
Molecular FormulaC22H43N
Molecular Weight321.59 g/mol
Exact Mass321.34
IUPAC Name18-ethyl-19-methyl-19-azabicyclo[15.3.0]icosane
SMILESCCC1C2CCCCCCCCCCCCCCCC2CN1C
InChIInChI=1S/C22H43N/c1-3-22-21-18-16-14-12-10-8-6-4-5-7-9-11-13-15-17-20(21)19-23(22)2/h20-22H,3-19H2,1-2H3
InChIKeyBTEFUCOCKSLDQM-UHFFFAOYSA-N
XLogP6.81
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms23
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500321.59
LogP ≤ 56.81
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 18-ethyl-19-methyl-19-azabicyclo[15.3.0]icosane?
The IUPAC name of 18-ethyl-19-methyl-19-azabicyclo[15.3.0]icosane (CID 174195083) is 18-ethyl-19-methyl-19-azabicyclo[15.3.0]icosane.
What is the SMILES notation for 18-ethyl-19-methyl-19-azabicyclo[15.3.0]icosane?
The canonical SMILES for 18-ethyl-19-methyl-19-azabicyclo[15.3.0]icosane is CCC1C2CCCCCCCCCCCCCCCC2CN1C.
What is the InChIKey of 18-ethyl-19-methyl-19-azabicyclo[15.3.0]icosane?
The InChIKey is BTEFUCOCKSLDQM-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H43N/c1-3-22-21-18-16-14-12-10-8-6-4-5-7-9-11-13-15-17-20(21)19-23(22)2/h20-22H,3-19H2,1-2H3.
What are the key properties of 18-ethyl-19-methyl-19-azabicyclo[15.3.0]icosane?
18-ethyl-19-methyl-19-azabicyclo[15.3.0]icosane has a molecular weight of 321.59 g/mol, XLogP of 6.81, 1 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 18-ethyl-19-methyl-19-azabicyclo[15.3.0]icosane is sourced from PubChem (CID 174195083), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).