11-ethyl-7-oxa-16-azadispiro[5.1.68.36]heptadecane

C17H31NO — CID 65213736

IUPAC11-ethyl-7-oxa-16-azadispiro[5.1.68.36]heptadecane
SMILESCCC1CCCC2(CC1)CNCC1(CCCCC1)O2
InChIInChI=1S/C17H31NO/c1-2-15-7-6-11-17(12-8-15)14-18-13-16(19-17)9-4-3-5-10-16/h15,18H,2-14H2,1H3
InChIKeyCUYQFUKCXNXESU-UHFFFAOYSA-N
MW265.44 g/mol
LogP4.04
Rot. Bonds1

About 11-ethyl-7-oxa-16-azadispiro[5.1.68.36]heptadecane

11-ethyl-7-oxa-16-azadispiro[5.1.68.36]heptadecane (PubChem CID 65213736) has the molecular formula C17H31NO and a molecular weight of 265.44 g/mol. Its IUPAC name is 11-ethyl-7-oxa-16-azadispiro[5.1.68.36]heptadecane.

Molecular Properties

Compound Name11-ethyl-7-oxa-16-azadispiro[5.1.68.36]heptadecane
PubChem CID65213736
Molecular FormulaC17H31NO
Molecular Weight265.44 g/mol
Exact Mass265.24
IUPAC Name11-ethyl-7-oxa-16-azadispiro[5.1.68.36]heptadecane
SMILESCCC1CCCC2(CC1)CNCC1(CCCCC1)O2
InChIInChI=1S/C17H31NO/c1-2-15-7-6-11-17(12-8-15)14-18-13-16(19-17)9-4-3-5-10-16/h15,18H,2-14H2,1H3
InChIKeyCUYQFUKCXNXESU-UHFFFAOYSA-N
XLogP4.04
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.44
LogP ≤ 54.04
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 11-ethyl-7-oxa-16-azadispiro[5.1.68.36]heptadecane?
The IUPAC name of 11-ethyl-7-oxa-16-azadispiro[5.1.68.36]heptadecane (CID 65213736) is 11-ethyl-7-oxa-16-azadispiro[5.1.68.36]heptadecane.
What is the SMILES notation for 11-ethyl-7-oxa-16-azadispiro[5.1.68.36]heptadecane?
The canonical SMILES for 11-ethyl-7-oxa-16-azadispiro[5.1.68.36]heptadecane is CCC1CCCC2(CC1)CNCC1(CCCCC1)O2.
What is the InChIKey of 11-ethyl-7-oxa-16-azadispiro[5.1.68.36]heptadecane?
The InChIKey is CUYQFUKCXNXESU-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H31NO/c1-2-15-7-6-11-17(12-8-15)14-18-13-16(19-17)9-4-3-5-10-16/h15,18H,2-14H2,1H3.
What are the key properties of 11-ethyl-7-oxa-16-azadispiro[5.1.68.36]heptadecane?
11-ethyl-7-oxa-16-azadispiro[5.1.68.36]heptadecane has a molecular weight of 265.44 g/mol, XLogP of 4.04, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 11-ethyl-7-oxa-16-azadispiro[5.1.68.36]heptadecane is sourced from PubChem (CID 65213736), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).