3-cyclopropyl-1-(3-ethoxypropyl)-3-methyl-1,4-diazaspiro[5.5]undecane

C18H34N2O — CID 65177753

IUPAC3-cyclopropyl-1-(3-ethoxypropyl)-3-methyl-1,4-diazaspiro[5.5]undecane
SMILESCCOCCCN1CC(C)(C2CC2)NCC12CCCCC2
InChIInChI=1S/C18H34N2O/c1-3-21-13-7-12-20-15-17(2,16-8-9-16)19-14-18(20)10-5-4-6-11-18/h16,19H,3-15H2,1-2H3
InChIKeyXXFFIACGMRSKTI-UHFFFAOYSA-N
MW294.48 g/mol
LogP3.19
Rot. Bonds6

About 3-cyclopropyl-1-(3-ethoxypropyl)-3-methyl-1,4-diazaspiro[5.5]undecane

3-cyclopropyl-1-(3-ethoxypropyl)-3-methyl-1,4-diazaspiro[5.5]undecane (PubChem CID 65177753) has the molecular formula C18H34N2O and a molecular weight of 294.48 g/mol. Its IUPAC name is 3-cyclopropyl-1-(3-ethoxypropyl)-3-methyl-1,4-diazaspiro[5.5]undecane.

Molecular Properties

Compound Name3-cyclopropyl-1-(3-ethoxypropyl)-3-methyl-1,4-diazaspiro[5.5]undecane
PubChem CID65177753
Molecular FormulaC18H34N2O
Molecular Weight294.48 g/mol
Exact Mass294.27
IUPAC Name3-cyclopropyl-1-(3-ethoxypropyl)-3-methyl-1,4-diazaspiro[5.5]undecane
SMILESCCOCCCN1CC(C)(C2CC2)NCC12CCCCC2
InChIInChI=1S/C18H34N2O/c1-3-21-13-7-12-20-15-17(2,16-8-9-16)19-14-18(20)10-5-4-6-11-18/h16,19H,3-15H2,1-2H3
InChIKeyXXFFIACGMRSKTI-UHFFFAOYSA-N
XLogP3.19
TPSA24.50 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500294.48
LogP ≤ 53.19
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 3-cyclopropyl-1-(3-ethoxypropyl)-3-methyl-1,4-diazaspiro[5.5]undecane?
The IUPAC name of 3-cyclopropyl-1-(3-ethoxypropyl)-3-methyl-1,4-diazaspiro[5.5]undecane (CID 65177753) is 3-cyclopropyl-1-(3-ethoxypropyl)-3-methyl-1,4-diazaspiro[5.5]undecane.
What is the SMILES notation for 3-cyclopropyl-1-(3-ethoxypropyl)-3-methyl-1,4-diazaspiro[5.5]undecane?
The canonical SMILES for 3-cyclopropyl-1-(3-ethoxypropyl)-3-methyl-1,4-diazaspiro[5.5]undecane is CCOCCCN1CC(C)(C2CC2)NCC12CCCCC2.
What is the InChIKey of 3-cyclopropyl-1-(3-ethoxypropyl)-3-methyl-1,4-diazaspiro[5.5]undecane?
The InChIKey is XXFFIACGMRSKTI-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H34N2O/c1-3-21-13-7-12-20-15-17(2,16-8-9-16)19-14-18(20)10-5-4-6-11-18/h16,19H,3-15H2,1-2H3.
What are the key properties of 3-cyclopropyl-1-(3-ethoxypropyl)-3-methyl-1,4-diazaspiro[5.5]undecane?
3-cyclopropyl-1-(3-ethoxypropyl)-3-methyl-1,4-diazaspiro[5.5]undecane has a molecular weight of 294.48 g/mol, XLogP of 3.19, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-cyclopropyl-1-(3-ethoxypropyl)-3-methyl-1,4-diazaspiro[5.5]undecane is sourced from PubChem (CID 65177753), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).