ethane;8-propyl-1,4-dioxa-8-azaspiro[4.5]decane

C12H25NO2 — CID 143370100

IUPACethane;8-propyl-1,4-dioxa-8-azaspiro[4.5]decane
SMILESCC.CCCN1CCC2(CC1)OCCO2
InChIInChI=1S/C10H19NO2.C2H6/c1-2-5-11-6-3-10(4-7-11)12-8-9-13-10;1-2/h2-9H2,1H3;1-2H3
InChIKeyVRHRUYFGDPVMOM-UHFFFAOYSA-N
MW215.34 g/mol
LogP2.26
Rot. Bonds2

About ethane;8-propyl-1,4-dioxa-8-azaspiro[4.5]decane

ethane;8-propyl-1,4-dioxa-8-azaspiro[4.5]decane (PubChem CID 143370100) has the molecular formula C12H25NO2 and a molecular weight of 215.34 g/mol. Its IUPAC name is ethane;8-propyl-1,4-dioxa-8-azaspiro[4.5]decane.

Molecular Properties

Compound Nameethane;8-propyl-1,4-dioxa-8-azaspiro[4.5]decane
PubChem CID143370100
Molecular FormulaC12H25NO2
Molecular Weight215.34 g/mol
Exact Mass215.19
IUPAC Nameethane;8-propyl-1,4-dioxa-8-azaspiro[4.5]decane
SMILESCC.CCCN1CCC2(CC1)OCCO2
InChIInChI=1S/C10H19NO2.C2H6/c1-2-5-11-6-3-10(4-7-11)12-8-9-13-10;1-2/h2-9H2,1H3;1-2H3
InChIKeyVRHRUYFGDPVMOM-UHFFFAOYSA-N
XLogP2.26
TPSA21.70 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500215.34
LogP ≤ 52.26
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

1-(2-Hydroxyethyl)-4-piperidone ethylene ketal
CID 16217968
1-(3,3-Diethoxypropyl)piperidine
CID 56624991
8-Methyl-1,4-dioxa-8-azaspiro[4.5]decane
CID 435056
4-[(2,2-Dimethyl-1,3-dioxolan-4-yl)methyl]-2,6-dimethylmorpholine
CID 4516478
1,4-Dioxa-8-azaspiro[4.5]decane-8-carbaldehyde
CID 12175143
Piperidyldioxolane
CID 13794886
1,4-Dioxa-8-aza-spiro[4.5]decane-8-carbonitrile
CID 86678210
2,2,8-Trimethyl-1,3-dioxa-8-aza-spiro[4.5]decane
CID 13672947
N,N-dipropyl-1,4-dioxa-8-azaspiro[4.5]decane-8-sulfonamide
CID 71942296
8-(3,3-Difluoropropyl)-1,4-dioxa-8-azaspiro[4.5]decane
CID 60114242
8-(2,2,2-Trifluoroethyl)-1,4-dioxa-8-azaspiro[4.5]decane
CID 67007162
8-Fluoro-1,4-dioxa-8-azaspiro[4.5]decane
CID 140963436

Frequently Asked Questions

What is the IUPAC name of ethane;8-propyl-1,4-dioxa-8-azaspiro[4.5]decane?
The IUPAC name of ethane;8-propyl-1,4-dioxa-8-azaspiro[4.5]decane (CID 143370100) is ethane;8-propyl-1,4-dioxa-8-azaspiro[4.5]decane.
What is the SMILES notation for ethane;8-propyl-1,4-dioxa-8-azaspiro[4.5]decane?
The canonical SMILES for ethane;8-propyl-1,4-dioxa-8-azaspiro[4.5]decane is CC.CCCN1CCC2(CC1)OCCO2.
What is the InChIKey of ethane;8-propyl-1,4-dioxa-8-azaspiro[4.5]decane?
The InChIKey is VRHRUYFGDPVMOM-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H19NO2.C2H6/c1-2-5-11-6-3-10(4-7-11)12-8-9-13-10;1-2/h2-9H2,1H3;1-2H3.
What are the key properties of ethane;8-propyl-1,4-dioxa-8-azaspiro[4.5]decane?
ethane;8-propyl-1,4-dioxa-8-azaspiro[4.5]decane has a molecular weight of 215.34 g/mol, XLogP of 2.26, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for ethane;8-propyl-1,4-dioxa-8-azaspiro[4.5]decane is sourced from PubChem (CID 143370100), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).