4-(3-ethoxypropyl)-3-(2-methylpropyl)-1,4-diazaspiro[5.5]undecane

C18H36N2O — CID 65178246

IUPAC4-(3-ethoxypropyl)-3-(2-methylpropyl)-1,4-diazaspiro[5.5]undecane
SMILESCCOCCCN1CC2(CCCCC2)NCC1CC(C)C
InChIInChI=1S/C18H36N2O/c1-4-21-12-8-11-20-15-18(9-6-5-7-10-18)19-14-17(20)13-16(2)3/h16-17,19H,4-15H2,1-3H3
InChIKeyVELJGQRLKXOREK-UHFFFAOYSA-N
MW296.50 g/mol
LogP3.44
Rot. Bonds7

About 4-(3-ethoxypropyl)-3-(2-methylpropyl)-1,4-diazaspiro[5.5]undecane

4-(3-ethoxypropyl)-3-(2-methylpropyl)-1,4-diazaspiro[5.5]undecane (PubChem CID 65178246) has the molecular formula C18H36N2O and a molecular weight of 296.50 g/mol. Its IUPAC name is 4-(3-ethoxypropyl)-3-(2-methylpropyl)-1,4-diazaspiro[5.5]undecane.

Molecular Properties

Compound Name4-(3-ethoxypropyl)-3-(2-methylpropyl)-1,4-diazaspiro[5.5]undecane
PubChem CID65178246
Molecular FormulaC18H36N2O
Molecular Weight296.50 g/mol
Exact Mass296.28
IUPAC Name4-(3-ethoxypropyl)-3-(2-methylpropyl)-1,4-diazaspiro[5.5]undecane
SMILESCCOCCCN1CC2(CCCCC2)NCC1CC(C)C
InChIInChI=1S/C18H36N2O/c1-4-21-12-8-11-20-15-18(9-6-5-7-10-18)19-14-17(20)13-16(2)3/h16-17,19H,4-15H2,1-3H3
InChIKeyVELJGQRLKXOREK-UHFFFAOYSA-N
XLogP3.44
TPSA24.50 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500296.50
LogP ≤ 53.44
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-(3-ethoxypropyl)-3-(2-methylpropyl)-1,4-diazaspiro[5.5]undecane?
The IUPAC name of 4-(3-ethoxypropyl)-3-(2-methylpropyl)-1,4-diazaspiro[5.5]undecane (CID 65178246) is 4-(3-ethoxypropyl)-3-(2-methylpropyl)-1,4-diazaspiro[5.5]undecane.
What is the SMILES notation for 4-(3-ethoxypropyl)-3-(2-methylpropyl)-1,4-diazaspiro[5.5]undecane?
The canonical SMILES for 4-(3-ethoxypropyl)-3-(2-methylpropyl)-1,4-diazaspiro[5.5]undecane is CCOCCCN1CC2(CCCCC2)NCC1CC(C)C.
What is the InChIKey of 4-(3-ethoxypropyl)-3-(2-methylpropyl)-1,4-diazaspiro[5.5]undecane?
The InChIKey is VELJGQRLKXOREK-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H36N2O/c1-4-21-12-8-11-20-15-18(9-6-5-7-10-18)19-14-17(20)13-16(2)3/h16-17,19H,4-15H2,1-3H3.
What are the key properties of 4-(3-ethoxypropyl)-3-(2-methylpropyl)-1,4-diazaspiro[5.5]undecane?
4-(3-ethoxypropyl)-3-(2-methylpropyl)-1,4-diazaspiro[5.5]undecane has a molecular weight of 296.50 g/mol, XLogP of 3.44, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(3-ethoxypropyl)-3-(2-methylpropyl)-1,4-diazaspiro[5.5]undecane is sourced from PubChem (CID 65178246), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).