9-tert-butyl-4-[3-[(2-methylpropan-2-yl)oxy]propyl]-1-oxa-4,9-diazaspiro[5.5]undecane

C19H38N2O2 — CID 134335591

IUPAC9-tert-butyl-4-[3-[(2-methylpropan-2-yl)oxy]propyl]-1-oxa-4,9-diazaspiro[5.5]undecane
SMILESCC(C)(C)OCCCN1CCOC2(CCN(C(C)(C)C)CC2)C1
InChIInChI=1S/C19H38N2O2/c1-17(2,3)21-11-8-19(9-12-21)16-20(13-15-23-19)10-7-14-22-18(4,5)6/h7-16H2,1-6H3
InChIKeyWFDRBRXPUBZHNE-UHFFFAOYSA-N
MW326.53 g/mol
LogP3.16
Rot. Bonds4

About 9-tert-butyl-4-[3-[(2-methylpropan-2-yl)oxy]propyl]-1-oxa-4,9-diazaspiro[5.5]undecane

9-tert-butyl-4-[3-[(2-methylpropan-2-yl)oxy]propyl]-1-oxa-4,9-diazaspiro[5.5]undecane (PubChem CID 134335591) has the molecular formula C19H38N2O2 and a molecular weight of 326.53 g/mol. Its IUPAC name is 9-tert-butyl-4-[3-[(2-methylpropan-2-yl)oxy]propyl]-1-oxa-4,9-diazaspiro[5.5]undecane.

Molecular Properties

Compound Name9-tert-butyl-4-[3-[(2-methylpropan-2-yl)oxy]propyl]-1-oxa-4,9-diazaspiro[5.5]undecane
PubChem CID134335591
Molecular FormulaC19H38N2O2
Molecular Weight326.53 g/mol
Exact Mass326.29
IUPAC Name9-tert-butyl-4-[3-[(2-methylpropan-2-yl)oxy]propyl]-1-oxa-4,9-diazaspiro[5.5]undecane
SMILESCC(C)(C)OCCCN1CCOC2(CCN(C(C)(C)C)CC2)C1
InChIInChI=1S/C19H38N2O2/c1-17(2,3)21-11-8-19(9-12-21)16-20(13-15-23-19)10-7-14-22-18(4,5)6/h7-16H2,1-6H3
InChIKeyWFDRBRXPUBZHNE-UHFFFAOYSA-N
XLogP3.16
TPSA24.94 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500326.53
LogP ≤ 53.16
H-Bond Donors ≤ 50
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 9-tert-butyl-4-[3-[(2-methylpropan-2-yl)oxy]propyl]-1-oxa-4,9-diazaspiro[5.5]undecane?
The IUPAC name of 9-tert-butyl-4-[3-[(2-methylpropan-2-yl)oxy]propyl]-1-oxa-4,9-diazaspiro[5.5]undecane (CID 134335591) is 9-tert-butyl-4-[3-[(2-methylpropan-2-yl)oxy]propyl]-1-oxa-4,9-diazaspiro[5.5]undecane.
What is the SMILES notation for 9-tert-butyl-4-[3-[(2-methylpropan-2-yl)oxy]propyl]-1-oxa-4,9-diazaspiro[5.5]undecane?
The canonical SMILES for 9-tert-butyl-4-[3-[(2-methylpropan-2-yl)oxy]propyl]-1-oxa-4,9-diazaspiro[5.5]undecane is CC(C)(C)OCCCN1CCOC2(CCN(C(C)(C)C)CC2)C1.
What is the InChIKey of 9-tert-butyl-4-[3-[(2-methylpropan-2-yl)oxy]propyl]-1-oxa-4,9-diazaspiro[5.5]undecane?
The InChIKey is WFDRBRXPUBZHNE-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H38N2O2/c1-17(2,3)21-11-8-19(9-12-21)16-20(13-15-23-19)10-7-14-22-18(4,5)6/h7-16H2,1-6H3.
What are the key properties of 9-tert-butyl-4-[3-[(2-methylpropan-2-yl)oxy]propyl]-1-oxa-4,9-diazaspiro[5.5]undecane?
9-tert-butyl-4-[3-[(2-methylpropan-2-yl)oxy]propyl]-1-oxa-4,9-diazaspiro[5.5]undecane has a molecular weight of 326.53 g/mol, XLogP of 3.16, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 9-tert-butyl-4-[3-[(2-methylpropan-2-yl)oxy]propyl]-1-oxa-4,9-diazaspiro[5.5]undecane is sourced from PubChem (CID 134335591), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).