1-ethyl-2-azaspiro[4.11]hexadecane

C17H33N — CID 55191718

IUPAC1-ethyl-2-azaspiro[4.11]hexadecane
SMILESCCC1NCCC12CCCCCCCCCCC2
InChIInChI=1S/C17H33N/c1-2-16-17(14-15-18-16)12-10-8-6-4-3-5-7-9-11-13-17/h16,18H,2-15H2,1H3
InChIKeyYXXRMWTYIGQWNX-UHFFFAOYSA-N
MW251.46 g/mol
LogP5.05
Rot. Bonds1

About 1-ethyl-2-azaspiro[4.11]hexadecane

1-ethyl-2-azaspiro[4.11]hexadecane (PubChem CID 55191718) has the molecular formula C17H33N and a molecular weight of 251.46 g/mol. Its IUPAC name is 1-ethyl-2-azaspiro[4.11]hexadecane.

Molecular Properties

Compound Name1-ethyl-2-azaspiro[4.11]hexadecane
PubChem CID55191718
Molecular FormulaC17H33N
Molecular Weight251.46 g/mol
Exact Mass251.26
IUPAC Name1-ethyl-2-azaspiro[4.11]hexadecane
SMILESCCC1NCCC12CCCCCCCCCCC2
InChIInChI=1S/C17H33N/c1-2-16-17(14-15-18-16)12-10-8-6-4-3-5-7-9-11-13-17/h16,18H,2-15H2,1H3
InChIKeyYXXRMWTYIGQWNX-UHFFFAOYSA-N
XLogP5.05
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms18
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500251.46
LogP ≤ 55.05
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 1-ethyl-2-azaspiro[4.11]hexadecane?
The IUPAC name of 1-ethyl-2-azaspiro[4.11]hexadecane (CID 55191718) is 1-ethyl-2-azaspiro[4.11]hexadecane.
What is the SMILES notation for 1-ethyl-2-azaspiro[4.11]hexadecane?
The canonical SMILES for 1-ethyl-2-azaspiro[4.11]hexadecane is CCC1NCCC12CCCCCCCCCCC2.
What is the InChIKey of 1-ethyl-2-azaspiro[4.11]hexadecane?
The InChIKey is YXXRMWTYIGQWNX-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H33N/c1-2-16-17(14-15-18-16)12-10-8-6-4-3-5-7-9-11-13-17/h16,18H,2-15H2,1H3.
What are the key properties of 1-ethyl-2-azaspiro[4.11]hexadecane?
1-ethyl-2-azaspiro[4.11]hexadecane has a molecular weight of 251.46 g/mol, XLogP of 5.05, 1 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-ethyl-2-azaspiro[4.11]hexadecane is sourced from PubChem (CID 55191718), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).