6-(2-butoxyethyl)-8,8-diethyl-6,9-diazaspiro[4.5]decane

C18H36N2O — CID 64861043

IUPAC6-(2-butoxyethyl)-8,8-diethyl-6,9-diazaspiro[4.5]decane
SMILESCCCCOCCN1CC(CC)(CC)NCC12CCCC2
InChIInChI=1S/C18H36N2O/c1-4-7-13-21-14-12-20-16-17(5-2,6-3)19-15-18(20)10-8-9-11-18/h19H,4-16H2,1-3H3
InChIKeyWAQRYPTUGOZPQN-UHFFFAOYSA-N
MW296.50 g/mol
LogP3.58
Rot. Bonds8

About 6-(2-butoxyethyl)-8,8-diethyl-6,9-diazaspiro[4.5]decane

6-(2-butoxyethyl)-8,8-diethyl-6,9-diazaspiro[4.5]decane (PubChem CID 64861043) has the molecular formula C18H36N2O and a molecular weight of 296.50 g/mol. Its IUPAC name is 6-(2-butoxyethyl)-8,8-diethyl-6,9-diazaspiro[4.5]decane.

Molecular Properties

Compound Name6-(2-butoxyethyl)-8,8-diethyl-6,9-diazaspiro[4.5]decane
PubChem CID64861043
Molecular FormulaC18H36N2O
Molecular Weight296.50 g/mol
Exact Mass296.28
IUPAC Name6-(2-butoxyethyl)-8,8-diethyl-6,9-diazaspiro[4.5]decane
SMILESCCCCOCCN1CC(CC)(CC)NCC12CCCC2
InChIInChI=1S/C18H36N2O/c1-4-7-13-21-14-12-20-16-17(5-2,6-3)19-15-18(20)10-8-9-11-18/h19H,4-16H2,1-3H3
InChIKeyWAQRYPTUGOZPQN-UHFFFAOYSA-N
XLogP3.58
TPSA24.50 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500296.50
LogP ≤ 53.58
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

CID 16765254
CID 16765254
CID 24690173
CID 24690173
CID 54595571
CID 54595571
CID 131086946
CID 131086946
CID 54595572
CID 54595572
CID 64832666
CID 64832666
CID 64838686
CID 64838686
CID 64839211
CID 64839211
CID 64841406
CID 64841406
CID 64842278
CID 64842278
CID 64845807
CID 64845807
CID 64845925
CID 64845925

Frequently Asked Questions

What is the IUPAC name of 6-(2-butoxyethyl)-8,8-diethyl-6,9-diazaspiro[4.5]decane?
The IUPAC name of 6-(2-butoxyethyl)-8,8-diethyl-6,9-diazaspiro[4.5]decane (CID 64861043) is 6-(2-butoxyethyl)-8,8-diethyl-6,9-diazaspiro[4.5]decane.
What is the SMILES notation for 6-(2-butoxyethyl)-8,8-diethyl-6,9-diazaspiro[4.5]decane?
The canonical SMILES for 6-(2-butoxyethyl)-8,8-diethyl-6,9-diazaspiro[4.5]decane is CCCCOCCN1CC(CC)(CC)NCC12CCCC2.
What is the InChIKey of 6-(2-butoxyethyl)-8,8-diethyl-6,9-diazaspiro[4.5]decane?
The InChIKey is WAQRYPTUGOZPQN-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H36N2O/c1-4-7-13-21-14-12-20-16-17(5-2,6-3)19-15-18(20)10-8-9-11-18/h19H,4-16H2,1-3H3.
What are the key properties of 6-(2-butoxyethyl)-8,8-diethyl-6,9-diazaspiro[4.5]decane?
6-(2-butoxyethyl)-8,8-diethyl-6,9-diazaspiro[4.5]decane has a molecular weight of 296.50 g/mol, XLogP of 3.58, 8 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(2-butoxyethyl)-8,8-diethyl-6,9-diazaspiro[4.5]decane is sourced from PubChem (CID 64861043), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).