8-(3-methylbut-3-enyl)-1,4-dioxa-8-azaspiro[4.5]decane

C12H21NO2 — CID 114448872

IUPAC8-(3-methylbut-3-enyl)-1,4-dioxa-8-azaspiro[4.5]decane
SMILESC=C(C)CCN1CCC2(CC1)OCCO2
InChIInChI=1S/C12H21NO2/c1-11(2)3-6-13-7-4-12(5-8-13)14-9-10-15-12/h1,3-10H2,2H3
InChIKeyRZNGDGJTOSJNOC-UHFFFAOYSA-N
MW211.30 g/mol
LogP1.79
Rot. Bonds3

About 8-(3-methylbut-3-enyl)-1,4-dioxa-8-azaspiro[4.5]decane

8-(3-methylbut-3-enyl)-1,4-dioxa-8-azaspiro[4.5]decane (PubChem CID 114448872) has the molecular formula C12H21NO2 and a molecular weight of 211.30 g/mol. Its IUPAC name is 8-(3-methylbut-3-enyl)-1,4-dioxa-8-azaspiro[4.5]decane.

Molecular Properties

Compound Name8-(3-methylbut-3-enyl)-1,4-dioxa-8-azaspiro[4.5]decane
PubChem CID114448872
Molecular FormulaC12H21NO2
Molecular Weight211.30 g/mol
Exact Mass211.16
IUPAC Name8-(3-methylbut-3-enyl)-1,4-dioxa-8-azaspiro[4.5]decane
SMILESC=C(C)CCN1CCC2(CC1)OCCO2
InChIInChI=1S/C12H21NO2/c1-11(2)3-6-13-7-4-12(5-8-13)14-9-10-15-12/h1,3-10H2,2H3
InChIKeyRZNGDGJTOSJNOC-UHFFFAOYSA-N
XLogP1.79
TPSA21.70 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500211.30
LogP ≤ 51.79
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Related Compounds

7-(3-methylbut-3-enyl)-1,4-dioxa-7-azaspiro[4.4]nonane
CID 130964518
3-(1,4-dioxa-8-azaspiro[4.5]decan-8-yl)-N,N-diethylpropanamide
CID 109028480
ethane;8-propyl-1,4-dioxa-8-azaspiro[4.5]decane
CID 143370100
3-(1,4-dioxa-8-azaspiro[4.5]decan-8-yl)-N-ethylpropanamide
CID 112726882
8-octyl-1,4-dioxa-8-azaspiro[4.5]decane
CID 21249280
8-(3-methylsulfanylpropyl)-1,4-dioxa-8-azaspiro[4.5]decane
CID 115647631
3-(1,4-dioxa-7-azaspiro[4.4]nonan-7-yl)-N-methylpropanamide
CID 131182035
3-(1,4-dioxa-8-azaspiro[4.5]decan-8-yl)-N-(4-methylphenyl)propanamide
CID 109028499
N-(1,4-dioxa-8-azaspiro[4.5]decan-8-ylmethyl)methanimine
CID 20761881
8-[2-(2-methoxyethoxy)ethyl]-1,4-dioxa-8-azaspiro[4.5]decane
CID 79885602
6-(1,4-dioxa-8-azaspiro[4.5]decan-8-yl)hexan-1-amine
CID 129354044
(2S)-4-(1,4-dioxa-8-azaspiro[4.5]decan-8-yl)-1,1,1-trifluorobutan-2-ol
CID 40549331

Frequently Asked Questions

What is the IUPAC name of 8-(3-methylbut-3-enyl)-1,4-dioxa-8-azaspiro[4.5]decane?
The IUPAC name of 8-(3-methylbut-3-enyl)-1,4-dioxa-8-azaspiro[4.5]decane (CID 114448872) is 8-(3-methylbut-3-enyl)-1,4-dioxa-8-azaspiro[4.5]decane.
What is the SMILES notation for 8-(3-methylbut-3-enyl)-1,4-dioxa-8-azaspiro[4.5]decane?
The canonical SMILES for 8-(3-methylbut-3-enyl)-1,4-dioxa-8-azaspiro[4.5]decane is C=C(C)CCN1CCC2(CC1)OCCO2.
What is the InChIKey of 8-(3-methylbut-3-enyl)-1,4-dioxa-8-azaspiro[4.5]decane?
The InChIKey is RZNGDGJTOSJNOC-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H21NO2/c1-11(2)3-6-13-7-4-12(5-8-13)14-9-10-15-12/h1,3-10H2,2H3.
What are the key properties of 8-(3-methylbut-3-enyl)-1,4-dioxa-8-azaspiro[4.5]decane?
8-(3-methylbut-3-enyl)-1,4-dioxa-8-azaspiro[4.5]decane has a molecular weight of 211.30 g/mol, XLogP of 1.79, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 8-(3-methylbut-3-enyl)-1,4-dioxa-8-azaspiro[4.5]decane is sourced from PubChem (CID 114448872), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).