2,8-dimethyl-3-propyl-1-oxa-3,8-diazaspiro[4.5]decane

C12H24N2O — CID 173100464

IUPAC2,8-dimethyl-3-propyl-1-oxa-3,8-diazaspiro[4.5]decane
SMILESCCCN1CC2(CCN(C)CC2)OC1C
InChIInChI=1S/C12H24N2O/c1-4-7-14-10-12(15-11(14)2)5-8-13(3)9-6-12/h11H,4-10H2,1-3H3
InChIKeyLMQXSUWGDQRKIW-UHFFFAOYSA-N
MW212.34 g/mol
LogP1.54
Rot. Bonds2

About 2,8-dimethyl-3-propyl-1-oxa-3,8-diazaspiro[4.5]decane

2,8-dimethyl-3-propyl-1-oxa-3,8-diazaspiro[4.5]decane (PubChem CID 173100464) has the molecular formula C12H24N2O and a molecular weight of 212.34 g/mol. Its IUPAC name is 2,8-dimethyl-3-propyl-1-oxa-3,8-diazaspiro[4.5]decane.

Molecular Properties

Compound Name2,8-dimethyl-3-propyl-1-oxa-3,8-diazaspiro[4.5]decane
PubChem CID173100464
Molecular FormulaC12H24N2O
Molecular Weight212.34 g/mol
Exact Mass212.19
IUPAC Name2,8-dimethyl-3-propyl-1-oxa-3,8-diazaspiro[4.5]decane
SMILESCCCN1CC2(CCN(C)CC2)OC1C
InChIInChI=1S/C12H24N2O/c1-4-7-14-10-12(15-11(14)2)5-8-13(3)9-6-12/h11H,4-10H2,1-3H3
InChIKeyLMQXSUWGDQRKIW-UHFFFAOYSA-N
XLogP1.54
TPSA15.71 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500212.34
LogP ≤ 51.54
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2,8-dimethyl-3-propyl-1-oxa-3,8-diazaspiro[4.5]decane?
The IUPAC name of 2,8-dimethyl-3-propyl-1-oxa-3,8-diazaspiro[4.5]decane (CID 173100464) is 2,8-dimethyl-3-propyl-1-oxa-3,8-diazaspiro[4.5]decane.
What is the SMILES notation for 2,8-dimethyl-3-propyl-1-oxa-3,8-diazaspiro[4.5]decane?
The canonical SMILES for 2,8-dimethyl-3-propyl-1-oxa-3,8-diazaspiro[4.5]decane is CCCN1CC2(CCN(C)CC2)OC1C.
What is the InChIKey of 2,8-dimethyl-3-propyl-1-oxa-3,8-diazaspiro[4.5]decane?
The InChIKey is LMQXSUWGDQRKIW-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H24N2O/c1-4-7-14-10-12(15-11(14)2)5-8-13(3)9-6-12/h11H,4-10H2,1-3H3.
What are the key properties of 2,8-dimethyl-3-propyl-1-oxa-3,8-diazaspiro[4.5]decane?
2,8-dimethyl-3-propyl-1-oxa-3,8-diazaspiro[4.5]decane has a molecular weight of 212.34 g/mol, XLogP of 1.54, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2,8-dimethyl-3-propyl-1-oxa-3,8-diazaspiro[4.5]decane is sourced from PubChem (CID 173100464), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).