2-ethyl-10-iodo-1-methyl-5-azabicyclo[11.1.0]tetradecane

C16H30IN — CID 137399977

IUPAC2-ethyl-10-iodo-1-methyl-5-azabicyclo[11.1.0]tetradecane
SMILESCCC1CCNCCCCC(I)CCC2CC12C
InChIInChI=1S/C16H30IN/c1-3-13-9-11-18-10-5-4-6-15(17)8-7-14-12-16(13,14)2/h13-15,18H,3-12H2,1-2H3
InChIKeyFETCRZKLGYFZIR-UHFFFAOYSA-N
MW363.33 g/mol
LogP4.79
Rot. Bonds1

About 2-ethyl-10-iodo-1-methyl-5-azabicyclo[11.1.0]tetradecane

2-ethyl-10-iodo-1-methyl-5-azabicyclo[11.1.0]tetradecane (PubChem CID 137399977) has the molecular formula C16H30IN and a molecular weight of 363.33 g/mol. Its IUPAC name is 2-ethyl-10-iodo-1-methyl-5-azabicyclo[11.1.0]tetradecane.

Molecular Properties

Compound Name2-ethyl-10-iodo-1-methyl-5-azabicyclo[11.1.0]tetradecane
PubChem CID137399977
Molecular FormulaC16H30IN
Molecular Weight363.33 g/mol
Exact Mass363.14
IUPAC Name2-ethyl-10-iodo-1-methyl-5-azabicyclo[11.1.0]tetradecane
SMILESCCC1CCNCCCCC(I)CCC2CC12C
InChIInChI=1S/C16H30IN/c1-3-13-9-11-18-10-5-4-6-15(17)8-7-14-12-16(13,14)2/h13-15,18H,3-12H2,1-2H3
InChIKeyFETCRZKLGYFZIR-UHFFFAOYSA-N
XLogP4.79
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500363.33
LogP ≤ 54.79
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'alkyl_halide', 'substructure': 'N/A'}, {'alert_name': 'iodine', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2-ethyl-10-iodo-1-methyl-5-azabicyclo[11.1.0]tetradecane?
The IUPAC name of 2-ethyl-10-iodo-1-methyl-5-azabicyclo[11.1.0]tetradecane (CID 137399977) is 2-ethyl-10-iodo-1-methyl-5-azabicyclo[11.1.0]tetradecane.
What is the SMILES notation for 2-ethyl-10-iodo-1-methyl-5-azabicyclo[11.1.0]tetradecane?
The canonical SMILES for 2-ethyl-10-iodo-1-methyl-5-azabicyclo[11.1.0]tetradecane is CCC1CCNCCCCC(I)CCC2CC12C.
What is the InChIKey of 2-ethyl-10-iodo-1-methyl-5-azabicyclo[11.1.0]tetradecane?
The InChIKey is FETCRZKLGYFZIR-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H30IN/c1-3-13-9-11-18-10-5-4-6-15(17)8-7-14-12-16(13,14)2/h13-15,18H,3-12H2,1-2H3.
What are the key properties of 2-ethyl-10-iodo-1-methyl-5-azabicyclo[11.1.0]tetradecane?
2-ethyl-10-iodo-1-methyl-5-azabicyclo[11.1.0]tetradecane has a molecular weight of 363.33 g/mol, XLogP of 4.79, 1 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-ethyl-10-iodo-1-methyl-5-azabicyclo[11.1.0]tetradecane is sourced from PubChem (CID 137399977), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).