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

C17H32N2O — CID 64860793

IUPAC3-cyclopropyl-1-(2-ethoxyethyl)-3-methyl-1,4-diazaspiro[5.5]undecane
SMILESCCOCCN1CC(C)(C2CC2)NCC12CCCCC2
InChIInChI=1S/C17H32N2O/c1-3-20-12-11-19-14-16(2,15-7-8-15)18-13-17(19)9-5-4-6-10-17/h15,18H,3-14H2,1-2H3
InChIKeyANCJMQUGJNCFHW-UHFFFAOYSA-N
MW280.46 g/mol
LogP2.80
Rot. Bonds5

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

3-cyclopropyl-1-(2-ethoxyethyl)-3-methyl-1,4-diazaspiro[5.5]undecane (PubChem CID 64860793) has the molecular formula C17H32N2O and a molecular weight of 280.46 g/mol. Its IUPAC name is 3-cyclopropyl-1-(2-ethoxyethyl)-3-methyl-1,4-diazaspiro[5.5]undecane.

Molecular Properties

Compound Name3-cyclopropyl-1-(2-ethoxyethyl)-3-methyl-1,4-diazaspiro[5.5]undecane
PubChem CID64860793
Molecular FormulaC17H32N2O
Molecular Weight280.46 g/mol
Exact Mass280.25
IUPAC Name3-cyclopropyl-1-(2-ethoxyethyl)-3-methyl-1,4-diazaspiro[5.5]undecane
SMILESCCOCCN1CC(C)(C2CC2)NCC12CCCCC2
InChIInChI=1S/C17H32N2O/c1-3-20-12-11-19-14-16(2,15-7-8-15)18-13-17(19)9-5-4-6-10-17/h15,18H,3-14H2,1-2H3
InChIKeyANCJMQUGJNCFHW-UHFFFAOYSA-N
XLogP2.80
TPSA24.50 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500280.46
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-cyclopropyl-1-(3-ethoxypropyl)-3-methyl-1,4-diazaspiro[5.5]undecane
CID 65177753
3,3-dimethyl-1-(2-propoxyethyl)-1,4-diazaspiro[5.5]undecane
CID 106458595
5-cyclopropyl-1-(3-ethoxypropyl)-2,2-diethyl-5-methylpiperazine
CID 65177697
8-cyclopropyl-8-methyl-6-[2-(oxolan-2-yl)ethyl]-6,9-diazaspiro[4.5]decane
CID 65170634
8-cyclopropyl-8-methyl-6-(3-methylbut-2-enyl)-6,9-diazaspiro[4.5]decane
CID 107901791
3,3-dimethyl-1-[2-(2-methylpropoxy)ethyl]-1,4-diazaspiro[5.5]undecane
CID 106458594
8-cyclopropyl-8-methyl-6-(2-thiophen-2-ylethyl)-6,9-diazaspiro[4.5]decane
CID 64861176
4-(2-ethoxyethyl)-3,3-dimethyl-1,4-diazaspiro[5.5]undecane
CID 64878399
6-(2-butoxyethyl)-8,8-diethyl-6,9-diazaspiro[4.5]decane
CID 64861043
5-cyclopropyl-1-[2-(3-methoxypropoxy)ethyl]-2,2,5-trimethylpiperazine
CID 103184573
8-cyclopropyl-8-methyl-6-[(1-methylpyrazol-4-yl)methyl]-6,9-diazaspiro[4.5]decane
CID 64860600
3-cyclopropyl-1-(3-ethoxypropyl)-3-methylpiperazine
CID 64926000

Frequently Asked Questions

What is the IUPAC name of 3-cyclopropyl-1-(2-ethoxyethyl)-3-methyl-1,4-diazaspiro[5.5]undecane?
The IUPAC name of 3-cyclopropyl-1-(2-ethoxyethyl)-3-methyl-1,4-diazaspiro[5.5]undecane (CID 64860793) is 3-cyclopropyl-1-(2-ethoxyethyl)-3-methyl-1,4-diazaspiro[5.5]undecane.
What is the SMILES notation for 3-cyclopropyl-1-(2-ethoxyethyl)-3-methyl-1,4-diazaspiro[5.5]undecane?
The canonical SMILES for 3-cyclopropyl-1-(2-ethoxyethyl)-3-methyl-1,4-diazaspiro[5.5]undecane is CCOCCN1CC(C)(C2CC2)NCC12CCCCC2.
What is the InChIKey of 3-cyclopropyl-1-(2-ethoxyethyl)-3-methyl-1,4-diazaspiro[5.5]undecane?
The InChIKey is ANCJMQUGJNCFHW-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H32N2O/c1-3-20-12-11-19-14-16(2,15-7-8-15)18-13-17(19)9-5-4-6-10-17/h15,18H,3-14H2,1-2H3.
What are the key properties of 3-cyclopropyl-1-(2-ethoxyethyl)-3-methyl-1,4-diazaspiro[5.5]undecane?
3-cyclopropyl-1-(2-ethoxyethyl)-3-methyl-1,4-diazaspiro[5.5]undecane has a molecular weight of 280.46 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-cyclopropyl-1-(2-ethoxyethyl)-3-methyl-1,4-diazaspiro[5.5]undecane is sourced from PubChem (CID 64860793), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).