3-ethyl-1-octyl-1,4-diazaspiro[5.5]undecane

C19H38N2 — CID 64843543

IUPAC3-ethyl-1-octyl-1,4-diazaspiro[5.5]undecane
SMILESCCCCCCCCN1CC(CC)NCC12CCCCC2
InChIInChI=1S/C19H38N2/c1-3-5-6-7-8-12-15-21-16-18(4-2)20-17-19(21)13-10-9-11-14-19/h18,20H,3-17H2,1-2H3
InChIKeyXBRSYADQXISFQM-UHFFFAOYSA-N
MW294.53 g/mol
LogP4.73
Rot. Bonds8

About 3-ethyl-1-octyl-1,4-diazaspiro[5.5]undecane

3-ethyl-1-octyl-1,4-diazaspiro[5.5]undecane (PubChem CID 64843543) has the molecular formula C19H38N2 and a molecular weight of 294.53 g/mol. Its IUPAC name is 3-ethyl-1-octyl-1,4-diazaspiro[5.5]undecane.

Molecular Properties

Compound Name3-ethyl-1-octyl-1,4-diazaspiro[5.5]undecane
PubChem CID64843543
Molecular FormulaC19H38N2
Molecular Weight294.53 g/mol
Exact Mass294.30
IUPAC Name3-ethyl-1-octyl-1,4-diazaspiro[5.5]undecane
SMILESCCCCCCCCN1CC(CC)NCC12CCCCC2
InChIInChI=1S/C19H38N2/c1-3-5-6-7-8-12-15-21-16-18(4-2)20-17-19(21)13-10-9-11-14-19/h18,20H,3-17H2,1-2H3
InChIKeyXBRSYADQXISFQM-UHFFFAOYSA-N
XLogP4.73
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds8
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500294.53
LogP ≤ 54.73
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

1-hexyl-3-(2-methylpropyl)-1,4-diazaspiro[5.5]undecane
CID 64850121
8-ethyl-6-(3-fluoropropyl)-6,9-diazaspiro[4.5]decane
CID 81114428
8-(2-methylpropyl)-6-pentyl-6,9-diazaspiro[4.5]decane
CID 64847996
6-butyl-8-propyl-6,9-diazaspiro[4.5]decane
CID 64838046
3-ethyl-1-(2-fluoroethyl)-1,4-diazaspiro[5.5]undecane
CID 80697421
8-ethyl-6-(3-ethylsulfonylpropyl)-6,9-diazaspiro[4.5]decane
CID 65097005
1-butyl-3-(2-methylpropyl)-1,4-diazaspiro[5.5]undecane
CID 64848961
3-butan-2-yl-1-hexyl-1,4-diazaspiro[5.5]undecane
CID 64848074
3-ethyl-1-[2-(2-methoxyethoxy)ethyl]-1,4-diazaspiro[5.5]undecane
CID 64842964
5-ethyl-2,2-dimethyl-1-pentylpiperazine
CID 64843523
8-ethyl-6-(2-ethylhexyl)-6,9-diazaspiro[4.5]decane
CID 64841215
1-(2-fluoroethyl)-3-propyl-1,4-diazaspiro[5.5]undecane
CID 80698291

Frequently Asked Questions

What is the IUPAC name of 3-ethyl-1-octyl-1,4-diazaspiro[5.5]undecane?
The IUPAC name of 3-ethyl-1-octyl-1,4-diazaspiro[5.5]undecane (CID 64843543) is 3-ethyl-1-octyl-1,4-diazaspiro[5.5]undecane.
What is the SMILES notation for 3-ethyl-1-octyl-1,4-diazaspiro[5.5]undecane?
The canonical SMILES for 3-ethyl-1-octyl-1,4-diazaspiro[5.5]undecane is CCCCCCCCN1CC(CC)NCC12CCCCC2.
What is the InChIKey of 3-ethyl-1-octyl-1,4-diazaspiro[5.5]undecane?
The InChIKey is XBRSYADQXISFQM-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H38N2/c1-3-5-6-7-8-12-15-21-16-18(4-2)20-17-19(21)13-10-9-11-14-19/h18,20H,3-17H2,1-2H3.
What are the key properties of 3-ethyl-1-octyl-1,4-diazaspiro[5.5]undecane?
3-ethyl-1-octyl-1,4-diazaspiro[5.5]undecane has a molecular weight of 294.53 g/mol, XLogP of 4.73, 8 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-ethyl-1-octyl-1,4-diazaspiro[5.5]undecane is sourced from PubChem (CID 64843543), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).