3,3-dimethyl-1-(2-propoxyethyl)-1,4-diazaspiro[5.5]undecane

C16H32N2O — CID 106458595

IUPAC3,3-dimethyl-1-(2-propoxyethyl)-1,4-diazaspiro[5.5]undecane
SMILESCCCOCCN1CC(C)(C)NCC12CCCCC2
InChIInChI=1S/C16H32N2O/c1-4-11-19-12-10-18-14-15(2,3)17-13-16(18)8-6-5-7-9-16/h17H,4-14H2,1-3H3
InChIKeyABIBAGAWMMVJSH-UHFFFAOYSA-N
MW268.44 g/mol
LogP2.80
Rot. Bonds5

About 3,3-dimethyl-1-(2-propoxyethyl)-1,4-diazaspiro[5.5]undecane

3,3-dimethyl-1-(2-propoxyethyl)-1,4-diazaspiro[5.5]undecane (PubChem CID 106458595) has the molecular formula C16H32N2O and a molecular weight of 268.44 g/mol. Its IUPAC name is 3,3-dimethyl-1-(2-propoxyethyl)-1,4-diazaspiro[5.5]undecane.

Molecular Properties

Compound Name3,3-dimethyl-1-(2-propoxyethyl)-1,4-diazaspiro[5.5]undecane
PubChem CID106458595
Molecular FormulaC16H32N2O
Molecular Weight268.44 g/mol
Exact Mass268.25
IUPAC Name3,3-dimethyl-1-(2-propoxyethyl)-1,4-diazaspiro[5.5]undecane
SMILESCCCOCCN1CC(C)(C)NCC12CCCCC2
InChIInChI=1S/C16H32N2O/c1-4-11-19-12-10-18-14-15(2,3)17-13-16(18)8-6-5-7-9-16/h17H,4-14H2,1-3H3
InChIKeyABIBAGAWMMVJSH-UHFFFAOYSA-N
XLogP2.80
TPSA24.50 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
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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Related Compounds

3,3-dimethyl-1-[2-(2-methylpropoxy)ethyl]-1,4-diazaspiro[5.5]undecane
CID 106458594
8,8-dimethyl-6-propyl-6,9-diazaspiro[4.5]decane
CID 64840920
3,3-dimethyl-1-(2-propan-2-yloxyethyl)-1,4-diazaspiro[5.5]undecane
CID 64841115
6-(2-butoxyethyl)-8,8-diethyl-6,9-diazaspiro[4.5]decane
CID 64861043
8-ethyl-6-[2-(2-methoxyethoxy)ethyl]-8-methyl-6,9-diazaspiro[4.5]decane
CID 64878493
3-cyclopropyl-1-(2-ethoxyethyl)-3-methyl-1,4-diazaspiro[5.5]undecane
CID 64860793
8,8-dimethyl-6-(3-methylbutyl)-6,9-diazaspiro[4.5]decane
CID 64842470
3,3-dimethyl-1-(4-methylpentyl)-1,4-diazaspiro[5.5]undecane
CID 83168130
8-ethyl-8-methyl-9-(2-propoxyethyl)-6,9-diazaspiro[4.5]decane
CID 106458732
6-(2-ethylbutyl)-8,8-dimethyl-6,9-diazaspiro[4.5]decane
CID 82923848
8,8-dimethyl-6-(2-pyrazol-1-ylethyl)-6,9-diazaspiro[4.5]decane
CID 64843633
3,3-dimethyl-1-(2-propan-2-ylsulfonylethyl)-1,4-diazaspiro[5.5]undecane
CID 106732966

Frequently Asked Questions

What is the IUPAC name of 3,3-dimethyl-1-(2-propoxyethyl)-1,4-diazaspiro[5.5]undecane?
The IUPAC name of 3,3-dimethyl-1-(2-propoxyethyl)-1,4-diazaspiro[5.5]undecane (CID 106458595) is 3,3-dimethyl-1-(2-propoxyethyl)-1,4-diazaspiro[5.5]undecane.
What is the SMILES notation for 3,3-dimethyl-1-(2-propoxyethyl)-1,4-diazaspiro[5.5]undecane?
The canonical SMILES for 3,3-dimethyl-1-(2-propoxyethyl)-1,4-diazaspiro[5.5]undecane is CCCOCCN1CC(C)(C)NCC12CCCCC2.
What is the InChIKey of 3,3-dimethyl-1-(2-propoxyethyl)-1,4-diazaspiro[5.5]undecane?
The InChIKey is ABIBAGAWMMVJSH-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H32N2O/c1-4-11-19-12-10-18-14-15(2,3)17-13-16(18)8-6-5-7-9-16/h17H,4-14H2,1-3H3.
What are the key properties of 3,3-dimethyl-1-(2-propoxyethyl)-1,4-diazaspiro[5.5]undecane?
3,3-dimethyl-1-(2-propoxyethyl)-1,4-diazaspiro[5.5]undecane has a molecular weight of 268.44 g/mol, XLogP of 2.80, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3,3-dimethyl-1-(2-propoxyethyl)-1,4-diazaspiro[5.5]undecane is sourced from PubChem (CID 106458595), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).