8-octyl-1,4-dioxa-8-azaspiro[4.5]decane

C15H29NO2 — CID 21249280

IUPAC8-octyl-1,4-dioxa-8-azaspiro[4.5]decane
SMILESCCCCCCCCN1CCC2(CC1)OCCO2
InChIInChI=1S/C15H29NO2/c1-2-3-4-5-6-7-10-16-11-8-15(9-12-16)17-13-14-18-15/h2-14H2,1H3
InChIKeyJPEJZQIWJCBSNL-UHFFFAOYSA-N
MW255.40 g/mol
LogP3.19
Rot. Bonds7

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

8-octyl-1,4-dioxa-8-azaspiro[4.5]decane (PubChem CID 21249280) has the molecular formula C15H29NO2 and a molecular weight of 255.40 g/mol. Its IUPAC name is 8-octyl-1,4-dioxa-8-azaspiro[4.5]decane.

Molecular Properties

Compound Name8-octyl-1,4-dioxa-8-azaspiro[4.5]decane
PubChem CID21249280
Molecular FormulaC15H29NO2
Molecular Weight255.40 g/mol
Exact Mass255.22
IUPAC Name8-octyl-1,4-dioxa-8-azaspiro[4.5]decane
SMILESCCCCCCCCN1CCC2(CC1)OCCO2
InChIInChI=1S/C15H29NO2/c1-2-3-4-5-6-7-10-16-11-8-15(9-12-16)17-13-14-18-15/h2-14H2,1H3
InChIKeyJPEJZQIWJCBSNL-UHFFFAOYSA-N
XLogP3.19
TPSA21.70 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500255.40
LogP ≤ 53.19
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

ethane;8-propyl-1,4-dioxa-8-azaspiro[4.5]decane
CID 143370100
6-(1,4-dioxa-8-azaspiro[4.5]decan-8-yl)hexan-1-amine
CID 129354044
8-(3-methylsulfanylpropyl)-1,4-dioxa-8-azaspiro[4.5]decane
CID 115647631
1-hexyl-4,4-dimethylpiperidine
CID 18722930
1-octylaziridine
CID 544653
1,4,7-tridodecyl-1,4,7-triazonane
CID 66887116
4,4-difluoro-1-heptylpiperidine
CID 138507375
4-hexylmorpholine
CID 3614751
8-[2-(2-methoxyethoxy)ethyl]-1,4-dioxa-8-azaspiro[4.5]decane
CID 79885602
1-hexyl-4-methylpiperidin-4-amine
CID 142516140
2,8-dipentyl-2,8-diazaspiro[4.5]decane;ethane
CID 156829992
1-heptylazetidine
CID 134402356

Frequently Asked Questions

What is the IUPAC name of 8-octyl-1,4-dioxa-8-azaspiro[4.5]decane?
The IUPAC name of 8-octyl-1,4-dioxa-8-azaspiro[4.5]decane (CID 21249280) is 8-octyl-1,4-dioxa-8-azaspiro[4.5]decane.
What is the SMILES notation for 8-octyl-1,4-dioxa-8-azaspiro[4.5]decane?
The canonical SMILES for 8-octyl-1,4-dioxa-8-azaspiro[4.5]decane is CCCCCCCCN1CCC2(CC1)OCCO2.
What is the InChIKey of 8-octyl-1,4-dioxa-8-azaspiro[4.5]decane?
The InChIKey is JPEJZQIWJCBSNL-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H29NO2/c1-2-3-4-5-6-7-10-16-11-8-15(9-12-16)17-13-14-18-15/h2-14H2,1H3.
What are the key properties of 8-octyl-1,4-dioxa-8-azaspiro[4.5]decane?
8-octyl-1,4-dioxa-8-azaspiro[4.5]decane has a molecular weight of 255.40 g/mol, XLogP of 3.19, 7 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 8-octyl-1,4-dioxa-8-azaspiro[4.5]decane is sourced from PubChem (CID 21249280), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).