4-ethyl-7-methyl-7-propan-2-yl-6-oxa-9-azaspiro[4.5]decane

C14H27NO — CID 114497451

IUPAC4-ethyl-7-methyl-7-propan-2-yl-6-oxa-9-azaspiro[4.5]decane
SMILESCCC1CCCC12CNCC(C)(C(C)C)O2
InChIInChI=1S/C14H27NO/c1-5-12-7-6-8-14(12)10-15-9-13(4,16-14)11(2)3/h11-12,15H,5-10H2,1-4H3
InChIKeyCSLBZSKBGFAQBT-UHFFFAOYSA-N
MW225.38 g/mol
LogP2.97
Rot. Bonds2

About 4-ethyl-7-methyl-7-propan-2-yl-6-oxa-9-azaspiro[4.5]decane

4-ethyl-7-methyl-7-propan-2-yl-6-oxa-9-azaspiro[4.5]decane (PubChem CID 114497451) has the molecular formula C14H27NO and a molecular weight of 225.38 g/mol. Its IUPAC name is 4-ethyl-7-methyl-7-propan-2-yl-6-oxa-9-azaspiro[4.5]decane.

Molecular Properties

Compound Name4-ethyl-7-methyl-7-propan-2-yl-6-oxa-9-azaspiro[4.5]decane
PubChem CID114497451
Molecular FormulaC14H27NO
Molecular Weight225.38 g/mol
Exact Mass225.21
IUPAC Name4-ethyl-7-methyl-7-propan-2-yl-6-oxa-9-azaspiro[4.5]decane
SMILESCCC1CCCC12CNCC(C)(C(C)C)O2
InChIInChI=1S/C14H27NO/c1-5-12-7-6-8-14(12)10-15-9-13(4,16-14)11(2)3/h11-12,15H,5-10H2,1-4H3
InChIKeyCSLBZSKBGFAQBT-UHFFFAOYSA-N
XLogP2.97
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500225.38
LogP ≤ 52.97
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 4-ethyl-7-methyl-7-propan-2-yl-6-oxa-9-azaspiro[4.5]decane?
The IUPAC name of 4-ethyl-7-methyl-7-propan-2-yl-6-oxa-9-azaspiro[4.5]decane (CID 114497451) is 4-ethyl-7-methyl-7-propan-2-yl-6-oxa-9-azaspiro[4.5]decane.
What is the SMILES notation for 4-ethyl-7-methyl-7-propan-2-yl-6-oxa-9-azaspiro[4.5]decane?
The canonical SMILES for 4-ethyl-7-methyl-7-propan-2-yl-6-oxa-9-azaspiro[4.5]decane is CCC1CCCC12CNCC(C)(C(C)C)O2.
What is the InChIKey of 4-ethyl-7-methyl-7-propan-2-yl-6-oxa-9-azaspiro[4.5]decane?
The InChIKey is CSLBZSKBGFAQBT-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H27NO/c1-5-12-7-6-8-14(12)10-15-9-13(4,16-14)11(2)3/h11-12,15H,5-10H2,1-4H3.
What are the key properties of 4-ethyl-7-methyl-7-propan-2-yl-6-oxa-9-azaspiro[4.5]decane?
4-ethyl-7-methyl-7-propan-2-yl-6-oxa-9-azaspiro[4.5]decane has a molecular weight of 225.38 g/mol, XLogP of 2.97, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-ethyl-7-methyl-7-propan-2-yl-6-oxa-9-azaspiro[4.5]decane is sourced from PubChem (CID 114497451), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).