8-butan-2-yl-3-ethyl-1-oxa-8-azaspiro[4.5]decane

C14H27NO — CID 139299015

IUPAC8-butan-2-yl-3-ethyl-1-oxa-8-azaspiro[4.5]decane
SMILESCCC1COC2(CCN(C(C)CC)CC2)C1
InChIInChI=1S/C14H27NO/c1-4-12(3)15-8-6-14(7-9-15)10-13(5-2)11-16-14/h12-13H,4-11H2,1-3H3
InChIKeyQNQDNMIXSMSURE-UHFFFAOYSA-N
MW225.38 g/mol
LogP3.07
Rot. Bonds3

About 8-butan-2-yl-3-ethyl-1-oxa-8-azaspiro[4.5]decane

8-butan-2-yl-3-ethyl-1-oxa-8-azaspiro[4.5]decane (PubChem CID 139299015) has the molecular formula C14H27NO and a molecular weight of 225.38 g/mol. Its IUPAC name is 8-butan-2-yl-3-ethyl-1-oxa-8-azaspiro[4.5]decane.

Molecular Properties

Compound Name8-butan-2-yl-3-ethyl-1-oxa-8-azaspiro[4.5]decane
PubChem CID139299015
Molecular FormulaC14H27NO
Molecular Weight225.38 g/mol
Exact Mass225.21
IUPAC Name8-butan-2-yl-3-ethyl-1-oxa-8-azaspiro[4.5]decane
SMILESCCC1COC2(CCN(C(C)CC)CC2)C1
InChIInChI=1S/C14H27NO/c1-4-12(3)15-8-6-14(7-9-15)10-13(5-2)11-16-14/h12-13H,4-11H2,1-3H3
InChIKeyQNQDNMIXSMSURE-UHFFFAOYSA-N
XLogP3.07
TPSA12.47 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500225.38
LogP ≤ 53.07
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Analyze 8-butan-2-yl-3-ethyl-1-oxa-8-azaspiro[4.5]decane with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 8-butan-2-yl-3-ethyl-1-oxa-8-azaspiro[4.5]decane?
The IUPAC name of 8-butan-2-yl-3-ethyl-1-oxa-8-azaspiro[4.5]decane (CID 139299015) is 8-butan-2-yl-3-ethyl-1-oxa-8-azaspiro[4.5]decane.
What is the SMILES notation for 8-butan-2-yl-3-ethyl-1-oxa-8-azaspiro[4.5]decane?
The canonical SMILES for 8-butan-2-yl-3-ethyl-1-oxa-8-azaspiro[4.5]decane is CCC1COC2(CCN(C(C)CC)CC2)C1.
What is the InChIKey of 8-butan-2-yl-3-ethyl-1-oxa-8-azaspiro[4.5]decane?
The InChIKey is QNQDNMIXSMSURE-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H27NO/c1-4-12(3)15-8-6-14(7-9-15)10-13(5-2)11-16-14/h12-13H,4-11H2,1-3H3.
What are the key properties of 8-butan-2-yl-3-ethyl-1-oxa-8-azaspiro[4.5]decane?
8-butan-2-yl-3-ethyl-1-oxa-8-azaspiro[4.5]decane has a molecular weight of 225.38 g/mol, XLogP of 3.07, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 8-butan-2-yl-3-ethyl-1-oxa-8-azaspiro[4.5]decane is sourced from PubChem (CID 139299015), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).