2-tert-butyl-7-[3-[(2-methylpropan-2-yl)oxy]propyl]-2,7-diazaspiro[3.5]nonane

C18H36N2O — CID 134335563

IUPAC2-tert-butyl-7-[3-[(2-methylpropan-2-yl)oxy]propyl]-2,7-diazaspiro[3.5]nonane
SMILESCC(C)(C)OCCCN1CCC2(CC1)CN(C(C)(C)C)C2
InChIInChI=1S/C18H36N2O/c1-16(2,3)20-14-18(15-20)8-11-19(12-9-18)10-7-13-21-17(4,5)6/h7-15H2,1-6H3
InChIKeyZHUGUUTWNPJUFI-UHFFFAOYSA-N
MW296.50 g/mol
LogP3.39
Rot. Bonds4

About 2-tert-butyl-7-[3-[(2-methylpropan-2-yl)oxy]propyl]-2,7-diazaspiro[3.5]nonane

2-tert-butyl-7-[3-[(2-methylpropan-2-yl)oxy]propyl]-2,7-diazaspiro[3.5]nonane (PubChem CID 134335563) has the molecular formula C18H36N2O and a molecular weight of 296.50 g/mol. Its IUPAC name is 2-tert-butyl-7-[3-[(2-methylpropan-2-yl)oxy]propyl]-2,7-diazaspiro[3.5]nonane.

Molecular Properties

Compound Name2-tert-butyl-7-[3-[(2-methylpropan-2-yl)oxy]propyl]-2,7-diazaspiro[3.5]nonane
PubChem CID134335563
Molecular FormulaC18H36N2O
Molecular Weight296.50 g/mol
Exact Mass296.28
IUPAC Name2-tert-butyl-7-[3-[(2-methylpropan-2-yl)oxy]propyl]-2,7-diazaspiro[3.5]nonane
SMILESCC(C)(C)OCCCN1CCC2(CC1)CN(C(C)(C)C)C2
InChIInChI=1S/C18H36N2O/c1-16(2,3)20-14-18(15-20)8-11-19(12-9-18)10-7-13-21-17(4,5)6/h7-15H2,1-6H3
InChIKeyZHUGUUTWNPJUFI-UHFFFAOYSA-N
XLogP3.39
TPSA15.71 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500296.50
LogP ≤ 53.39
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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Frequently Asked Questions

What is the IUPAC name of 2-tert-butyl-7-[3-[(2-methylpropan-2-yl)oxy]propyl]-2,7-diazaspiro[3.5]nonane?
The IUPAC name of 2-tert-butyl-7-[3-[(2-methylpropan-2-yl)oxy]propyl]-2,7-diazaspiro[3.5]nonane (CID 134335563) is 2-tert-butyl-7-[3-[(2-methylpropan-2-yl)oxy]propyl]-2,7-diazaspiro[3.5]nonane.
What is the SMILES notation for 2-tert-butyl-7-[3-[(2-methylpropan-2-yl)oxy]propyl]-2,7-diazaspiro[3.5]nonane?
The canonical SMILES for 2-tert-butyl-7-[3-[(2-methylpropan-2-yl)oxy]propyl]-2,7-diazaspiro[3.5]nonane is CC(C)(C)OCCCN1CCC2(CC1)CN(C(C)(C)C)C2.
What is the InChIKey of 2-tert-butyl-7-[3-[(2-methylpropan-2-yl)oxy]propyl]-2,7-diazaspiro[3.5]nonane?
The InChIKey is ZHUGUUTWNPJUFI-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H36N2O/c1-16(2,3)20-14-18(15-20)8-11-19(12-9-18)10-7-13-21-17(4,5)6/h7-15H2,1-6H3.
What are the key properties of 2-tert-butyl-7-[3-[(2-methylpropan-2-yl)oxy]propyl]-2,7-diazaspiro[3.5]nonane?
2-tert-butyl-7-[3-[(2-methylpropan-2-yl)oxy]propyl]-2,7-diazaspiro[3.5]nonane has a molecular weight of 296.50 g/mol, XLogP of 3.39, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-tert-butyl-7-[3-[(2-methylpropan-2-yl)oxy]propyl]-2,7-diazaspiro[3.5]nonane is sourced from PubChem (CID 134335563), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).