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

C15H30N2O — CID 64878399

IUPAC4-(2-ethoxyethyl)-3,3-dimethyl-1,4-diazaspiro[5.5]undecane
SMILESCCOCCN1CC2(CCCCC2)NCC1(C)C
InChIInChI=1S/C15H30N2O/c1-4-18-11-10-17-13-15(8-6-5-7-9-15)16-12-14(17,2)3/h16H,4-13H2,1-3H3
InChIKeyKTXRQWVEMUPXOL-UHFFFAOYSA-N
MW254.42 g/mol
LogP2.41
Rot. Bonds4

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

4-(2-ethoxyethyl)-3,3-dimethyl-1,4-diazaspiro[5.5]undecane (PubChem CID 64878399) has the molecular formula C15H30N2O and a molecular weight of 254.42 g/mol. Its IUPAC name is 4-(2-ethoxyethyl)-3,3-dimethyl-1,4-diazaspiro[5.5]undecane.

Molecular Properties

Compound Name4-(2-ethoxyethyl)-3,3-dimethyl-1,4-diazaspiro[5.5]undecane
PubChem CID64878399
Molecular FormulaC15H30N2O
Molecular Weight254.42 g/mol
Exact Mass254.24
IUPAC Name4-(2-ethoxyethyl)-3,3-dimethyl-1,4-diazaspiro[5.5]undecane
SMILESCCOCCN1CC2(CCCCC2)NCC1(C)C
InChIInChI=1S/C15H30N2O/c1-4-18-11-10-17-13-15(8-6-5-7-9-15)16-12-14(17,2)3/h16H,4-13H2,1-3H3
InChIKeyKTXRQWVEMUPXOL-UHFFFAOYSA-N
XLogP2.41
TPSA24.50 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500254.42
LogP ≤ 52.41
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 4-(2-ethoxyethyl)-3,3-dimethyl-1,4-diazaspiro[5.5]undecane?
The IUPAC name of 4-(2-ethoxyethyl)-3,3-dimethyl-1,4-diazaspiro[5.5]undecane (CID 64878399) is 4-(2-ethoxyethyl)-3,3-dimethyl-1,4-diazaspiro[5.5]undecane.
What is the SMILES notation for 4-(2-ethoxyethyl)-3,3-dimethyl-1,4-diazaspiro[5.5]undecane?
The canonical SMILES for 4-(2-ethoxyethyl)-3,3-dimethyl-1,4-diazaspiro[5.5]undecane is CCOCCN1CC2(CCCCC2)NCC1(C)C.
What is the InChIKey of 4-(2-ethoxyethyl)-3,3-dimethyl-1,4-diazaspiro[5.5]undecane?
The InChIKey is KTXRQWVEMUPXOL-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H30N2O/c1-4-18-11-10-17-13-15(8-6-5-7-9-15)16-12-14(17,2)3/h16H,4-13H2,1-3H3.
What are the key properties of 4-(2-ethoxyethyl)-3,3-dimethyl-1,4-diazaspiro[5.5]undecane?
4-(2-ethoxyethyl)-3,3-dimethyl-1,4-diazaspiro[5.5]undecane has a molecular weight of 254.42 g/mol, XLogP of 2.41, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2-ethoxyethyl)-3,3-dimethyl-1,4-diazaspiro[5.5]undecane is sourced from PubChem (CID 64878399), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).