1-oxa-4-azaspiro[4.11]hexadecane

C14H27NO — CID 165358700

IUPAC1-oxa-4-azaspiro[4.11]hexadecane
SMILESC1CCCCCC2(CCCCC1)NCCO2
InChIInChI=1S/C14H27NO/c1-2-4-6-8-10-14(15-12-13-16-14)11-9-7-5-3-1/h15H,1-13H2
InChIKeyICMPAVMGGOZHHN-UHFFFAOYSA-N
MW225.38 g/mol
LogP3.61
Rot. Bonds

About 1-oxa-4-azaspiro[4.11]hexadecane

1-oxa-4-azaspiro[4.11]hexadecane (PubChem CID 165358700) has the molecular formula C14H27NO and a molecular weight of 225.38 g/mol. Its IUPAC name is 1-oxa-4-azaspiro[4.11]hexadecane.

Molecular Properties

Compound Name1-oxa-4-azaspiro[4.11]hexadecane
PubChem CID165358700
Molecular FormulaC14H27NO
Molecular Weight225.38 g/mol
Exact Mass225.21
IUPAC Name1-oxa-4-azaspiro[4.11]hexadecane
SMILESC1CCCCCC2(CCCCC1)NCCO2
InChIInChI=1S/C14H27NO/c1-2-4-6-8-10-14(15-12-13-16-14)11-9-7-5-3-1/h15H,1-13H2
InChIKeyICMPAVMGGOZHHN-UHFFFAOYSA-N
XLogP3.61
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500225.38
LogP ≤ 53.61
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1-oxa-4-azaspiro[4.11]hexadecane?
The IUPAC name of 1-oxa-4-azaspiro[4.11]hexadecane (CID 165358700) is 1-oxa-4-azaspiro[4.11]hexadecane.
What is the SMILES notation for 1-oxa-4-azaspiro[4.11]hexadecane?
The canonical SMILES for 1-oxa-4-azaspiro[4.11]hexadecane is C1CCCCCC2(CCCCC1)NCCO2.
What is the InChIKey of 1-oxa-4-azaspiro[4.11]hexadecane?
The InChIKey is ICMPAVMGGOZHHN-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H27NO/c1-2-4-6-8-10-14(15-12-13-16-14)11-9-7-5-3-1/h15H,1-13H2.
What are the key properties of 1-oxa-4-azaspiro[4.11]hexadecane?
1-oxa-4-azaspiro[4.11]hexadecane has a molecular weight of 225.38 g/mol, XLogP of 3.61, 0 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-oxa-4-azaspiro[4.11]hexadecane is sourced from PubChem (CID 165358700), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).