10-(2-butoxyethyl)-9-methyl-6,10-diazaspiro[4.6]undecane

C16H32N2O — CID 64870212

IUPAC10-(2-butoxyethyl)-9-methyl-6,10-diazaspiro[4.6]undecane
SMILESCCCCOCCN1CC2(CCCC2)NCCC1C
InChIInChI=1S/C16H32N2O/c1-3-4-12-19-13-11-18-14-16(8-5-6-9-16)17-10-7-15(18)2/h15,17H,3-14H2,1-2H3
InChIKeyZVOFPGKWYAKUPZ-UHFFFAOYSA-N
MW268.44 g/mol
LogP2.80
Rot. Bonds6

About 10-(2-butoxyethyl)-9-methyl-6,10-diazaspiro[4.6]undecane

10-(2-butoxyethyl)-9-methyl-6,10-diazaspiro[4.6]undecane (PubChem CID 64870212) has the molecular formula C16H32N2O and a molecular weight of 268.44 g/mol. Its IUPAC name is 10-(2-butoxyethyl)-9-methyl-6,10-diazaspiro[4.6]undecane.

Molecular Properties

Compound Name10-(2-butoxyethyl)-9-methyl-6,10-diazaspiro[4.6]undecane
PubChem CID64870212
Molecular FormulaC16H32N2O
Molecular Weight268.44 g/mol
Exact Mass268.25
IUPAC Name10-(2-butoxyethyl)-9-methyl-6,10-diazaspiro[4.6]undecane
SMILESCCCCOCCN1CC2(CCCC2)NCCC1C
InChIInChI=1S/C16H32N2O/c1-3-4-12-19-13-11-18-14-16(8-5-6-9-16)17-10-7-15(18)2/h15,17H,3-14H2,1-2H3
InChIKeyZVOFPGKWYAKUPZ-UHFFFAOYSA-N
XLogP2.80
TPSA24.50 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500268.44
LogP ≤ 52.80
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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Frequently Asked Questions

What is the IUPAC name of 10-(2-butoxyethyl)-9-methyl-6,10-diazaspiro[4.6]undecane?
The IUPAC name of 10-(2-butoxyethyl)-9-methyl-6,10-diazaspiro[4.6]undecane (CID 64870212) is 10-(2-butoxyethyl)-9-methyl-6,10-diazaspiro[4.6]undecane.
What is the SMILES notation for 10-(2-butoxyethyl)-9-methyl-6,10-diazaspiro[4.6]undecane?
The canonical SMILES for 10-(2-butoxyethyl)-9-methyl-6,10-diazaspiro[4.6]undecane is CCCCOCCN1CC2(CCCC2)NCCC1C.
What is the InChIKey of 10-(2-butoxyethyl)-9-methyl-6,10-diazaspiro[4.6]undecane?
The InChIKey is ZVOFPGKWYAKUPZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H32N2O/c1-3-4-12-19-13-11-18-14-16(8-5-6-9-16)17-10-7-15(18)2/h15,17H,3-14H2,1-2H3.
What are the key properties of 10-(2-butoxyethyl)-9-methyl-6,10-diazaspiro[4.6]undecane?
10-(2-butoxyethyl)-9-methyl-6,10-diazaspiro[4.6]undecane has a molecular weight of 268.44 g/mol, XLogP of 2.80, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 10-(2-butoxyethyl)-9-methyl-6,10-diazaspiro[4.6]undecane is sourced from PubChem (CID 64870212), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).