3,8-dimethyl-1,4-dioxa-8-azaspiro[4.5]decane

C9H17NO2 — CID 12872415

IUPAC3,8-dimethyl-1,4-dioxa-8-azaspiro[4.5]decane
SMILESCC1COC2(CCN(C)CC2)O1
InChIInChI=1S/C9H17NO2/c1-8-7-11-9(12-8)3-5-10(2)6-4-9/h8H,3-7H2,1-2H3
InChIKeyHGJNDSVLPGSHRL-UHFFFAOYSA-N
MW171.24 g/mol
LogP0.84
Rot. Bonds

About 3,8-dimethyl-1,4-dioxa-8-azaspiro[4.5]decane

3,8-dimethyl-1,4-dioxa-8-azaspiro[4.5]decane (PubChem CID 12872415) has the molecular formula C9H17NO2 and a molecular weight of 171.24 g/mol. Its IUPAC name is 3,8-dimethyl-1,4-dioxa-8-azaspiro[4.5]decane.

Molecular Properties

Compound Name3,8-dimethyl-1,4-dioxa-8-azaspiro[4.5]decane
PubChem CID12872415
Molecular FormulaC9H17NO2
Molecular Weight171.24 g/mol
Exact Mass171.13
IUPAC Name3,8-dimethyl-1,4-dioxa-8-azaspiro[4.5]decane
SMILESCC1COC2(CCN(C)CC2)O1
InChIInChI=1S/C9H17NO2/c1-8-7-11-9(12-8)3-5-10(2)6-4-9/h8H,3-7H2,1-2H3
InChIKeyHGJNDSVLPGSHRL-UHFFFAOYSA-N
XLogP0.84
TPSA21.70 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500171.24
LogP ≤ 50.84
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 3,8-dimethyl-1,4-dioxa-8-azaspiro[4.5]decane?
The IUPAC name of 3,8-dimethyl-1,4-dioxa-8-azaspiro[4.5]decane (CID 12872415) is 3,8-dimethyl-1,4-dioxa-8-azaspiro[4.5]decane.
What is the SMILES notation for 3,8-dimethyl-1,4-dioxa-8-azaspiro[4.5]decane?
The canonical SMILES for 3,8-dimethyl-1,4-dioxa-8-azaspiro[4.5]decane is CC1COC2(CCN(C)CC2)O1.
What is the InChIKey of 3,8-dimethyl-1,4-dioxa-8-azaspiro[4.5]decane?
The InChIKey is HGJNDSVLPGSHRL-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H17NO2/c1-8-7-11-9(12-8)3-5-10(2)6-4-9/h8H,3-7H2,1-2H3.
What are the key properties of 3,8-dimethyl-1,4-dioxa-8-azaspiro[4.5]decane?
3,8-dimethyl-1,4-dioxa-8-azaspiro[4.5]decane has a molecular weight of 171.24 g/mol, XLogP of 0.84, 0 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3,8-dimethyl-1,4-dioxa-8-azaspiro[4.5]decane is sourced from PubChem (CID 12872415), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).