8-tert-butyl-9-[2-(2-methoxyethoxy)ethyl]-6,9-diazaspiro[4.5]decane

C17H34N2O2 — CID 64877000

IUPAC8-tert-butyl-9-[2-(2-methoxyethoxy)ethyl]-6,9-diazaspiro[4.5]decane
SMILESCOCCOCCN1CC2(CCCC2)NCC1C(C)(C)C
InChIInChI=1S/C17H34N2O2/c1-16(2,3)15-13-18-17(7-5-6-8-17)14-19(15)9-10-21-12-11-20-4/h15,18H,5-14H2,1-4H3
InChIKeyRGURPBRKDHVZAU-UHFFFAOYSA-N
MW298.47 g/mol
LogP2.28
Rot. Bonds6

About 8-tert-butyl-9-[2-(2-methoxyethoxy)ethyl]-6,9-diazaspiro[4.5]decane

8-tert-butyl-9-[2-(2-methoxyethoxy)ethyl]-6,9-diazaspiro[4.5]decane (PubChem CID 64877000) has the molecular formula C17H34N2O2 and a molecular weight of 298.47 g/mol. Its IUPAC name is 8-tert-butyl-9-[2-(2-methoxyethoxy)ethyl]-6,9-diazaspiro[4.5]decane.

Molecular Properties

Compound Name8-tert-butyl-9-[2-(2-methoxyethoxy)ethyl]-6,9-diazaspiro[4.5]decane
PubChem CID64877000
Molecular FormulaC17H34N2O2
Molecular Weight298.47 g/mol
Exact Mass298.26
IUPAC Name8-tert-butyl-9-[2-(2-methoxyethoxy)ethyl]-6,9-diazaspiro[4.5]decane
SMILESCOCCOCCN1CC2(CCCC2)NCC1C(C)(C)C
InChIInChI=1S/C17H34N2O2/c1-16(2,3)15-13-18-17(7-5-6-8-17)14-19(15)9-10-21-12-11-20-4/h15,18H,5-14H2,1-4H3
InChIKeyRGURPBRKDHVZAU-UHFFFAOYSA-N
XLogP2.28
TPSA33.73 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500298.47
LogP ≤ 52.28
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 8-tert-butyl-9-[2-(2-methoxyethoxy)ethyl]-6,9-diazaspiro[4.5]decane?
The IUPAC name of 8-tert-butyl-9-[2-(2-methoxyethoxy)ethyl]-6,9-diazaspiro[4.5]decane (CID 64877000) is 8-tert-butyl-9-[2-(2-methoxyethoxy)ethyl]-6,9-diazaspiro[4.5]decane.
What is the SMILES notation for 8-tert-butyl-9-[2-(2-methoxyethoxy)ethyl]-6,9-diazaspiro[4.5]decane?
The canonical SMILES for 8-tert-butyl-9-[2-(2-methoxyethoxy)ethyl]-6,9-diazaspiro[4.5]decane is COCCOCCN1CC2(CCCC2)NCC1C(C)(C)C.
What is the InChIKey of 8-tert-butyl-9-[2-(2-methoxyethoxy)ethyl]-6,9-diazaspiro[4.5]decane?
The InChIKey is RGURPBRKDHVZAU-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H34N2O2/c1-16(2,3)15-13-18-17(7-5-6-8-17)14-19(15)9-10-21-12-11-20-4/h15,18H,5-14H2,1-4H3.
What are the key properties of 8-tert-butyl-9-[2-(2-methoxyethoxy)ethyl]-6,9-diazaspiro[4.5]decane?
8-tert-butyl-9-[2-(2-methoxyethoxy)ethyl]-6,9-diazaspiro[4.5]decane has a molecular weight of 298.47 g/mol, XLogP of 2.28, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 8-tert-butyl-9-[2-(2-methoxyethoxy)ethyl]-6,9-diazaspiro[4.5]decane is sourced from PubChem (CID 64877000), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).