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

C17H34N2O — CID 106458594

IUPAC3,3-dimethyl-1-[2-(2-methylpropoxy)ethyl]-1,4-diazaspiro[5.5]undecane
SMILESCC(C)COCCN1CC(C)(C)NCC12CCCCC2
InChIInChI=1S/C17H34N2O/c1-15(2)12-20-11-10-19-14-16(3,4)18-13-17(19)8-6-5-7-9-17/h15,18H,5-14H2,1-4H3
InChIKeyFQVZGFSWKUKYDO-UHFFFAOYSA-N
MW282.47 g/mol
LogP3.05
Rot. Bonds5

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

3,3-dimethyl-1-[2-(2-methylpropoxy)ethyl]-1,4-diazaspiro[5.5]undecane (PubChem CID 106458594) has the molecular formula C17H34N2O and a molecular weight of 282.47 g/mol. Its IUPAC name is 3,3-dimethyl-1-[2-(2-methylpropoxy)ethyl]-1,4-diazaspiro[5.5]undecane.

Molecular Properties

Compound Name3,3-dimethyl-1-[2-(2-methylpropoxy)ethyl]-1,4-diazaspiro[5.5]undecane
PubChem CID106458594
Molecular FormulaC17H34N2O
Molecular Weight282.47 g/mol
Exact Mass282.27
IUPAC Name3,3-dimethyl-1-[2-(2-methylpropoxy)ethyl]-1,4-diazaspiro[5.5]undecane
SMILESCC(C)COCCN1CC(C)(C)NCC12CCCCC2
InChIInChI=1S/C17H34N2O/c1-15(2)12-20-11-10-19-14-16(3,4)18-13-17(19)8-6-5-7-9-17/h15,18H,5-14H2,1-4H3
InChIKeyFQVZGFSWKUKYDO-UHFFFAOYSA-N
XLogP3.05
TPSA24.50 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.47
LogP ≤ 53.05
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-propoxyethyl)-1,4-diazaspiro[5.5]undecane
CID 106458595
3,3-dimethyl-1-(2-propan-2-yloxyethyl)-1,4-diazaspiro[5.5]undecane
CID 64841115
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
8,8-dimethyl-6-propyl-6,9-diazaspiro[4.5]decane
CID 64840920
6-[2-(2-methylpropoxy)ethyl]-8-propan-2-yl-6,9-diazaspiro[4.5]decane
CID 106458569
3,3-dimethyl-1-(2-propan-2-ylsulfonylethyl)-1,4-diazaspiro[5.5]undecane
CID 106732966
3-cyclopropyl-1-(2-ethoxyethyl)-3-methyl-1,4-diazaspiro[5.5]undecane
CID 64860793
16-(3-methylbutyl)-8,16-diazadispiro[5.2.59.26]hexadecane
CID 64877449
8-ethyl-6-[2-(2-methoxyethoxy)ethyl]-8-methyl-6,9-diazaspiro[4.5]decane
CID 64878493
6-(2-ethylbutyl)-8,8-dimethyl-6,9-diazaspiro[4.5]decane
CID 82923848
3,3-dimethyl-1-(3-methylbut-2-enyl)-1,4-diazaspiro[5.5]undecane
CID 107901521

Frequently Asked Questions

What is the IUPAC name of 3,3-dimethyl-1-[2-(2-methylpropoxy)ethyl]-1,4-diazaspiro[5.5]undecane?
The IUPAC name of 3,3-dimethyl-1-[2-(2-methylpropoxy)ethyl]-1,4-diazaspiro[5.5]undecane (CID 106458594) is 3,3-dimethyl-1-[2-(2-methylpropoxy)ethyl]-1,4-diazaspiro[5.5]undecane.
What is the SMILES notation for 3,3-dimethyl-1-[2-(2-methylpropoxy)ethyl]-1,4-diazaspiro[5.5]undecane?
The canonical SMILES for 3,3-dimethyl-1-[2-(2-methylpropoxy)ethyl]-1,4-diazaspiro[5.5]undecane is CC(C)COCCN1CC(C)(C)NCC12CCCCC2.
What is the InChIKey of 3,3-dimethyl-1-[2-(2-methylpropoxy)ethyl]-1,4-diazaspiro[5.5]undecane?
The InChIKey is FQVZGFSWKUKYDO-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H34N2O/c1-15(2)12-20-11-10-19-14-16(3,4)18-13-17(19)8-6-5-7-9-17/h15,18H,5-14H2,1-4H3.
What are the key properties of 3,3-dimethyl-1-[2-(2-methylpropoxy)ethyl]-1,4-diazaspiro[5.5]undecane?
3,3-dimethyl-1-[2-(2-methylpropoxy)ethyl]-1,4-diazaspiro[5.5]undecane has a molecular weight of 282.47 g/mol, XLogP of 3.05, 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-(2-methylpropoxy)ethyl]-1,4-diazaspiro[5.5]undecane is sourced from PubChem (CID 106458594), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).