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

C17H32N2O — CID 106458748

IUPAC3-cyclopropyl-4-(2-propoxyethyl)-1,4-diazaspiro[5.5]undecane
SMILESCCCOCCN1CC2(CCCCC2)NCC1C1CC1
InChIInChI=1S/C17H32N2O/c1-2-11-20-12-10-19-14-17(8-4-3-5-9-17)18-13-16(19)15-6-7-15/h15-16,18H,2-14H2,1H3
InChIKeyJBQSJNPDKWUQAY-UHFFFAOYSA-N
MW280.46 g/mol
LogP2.80
Rot. Bonds6

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

3-cyclopropyl-4-(2-propoxyethyl)-1,4-diazaspiro[5.5]undecane (PubChem CID 106458748) has the molecular formula C17H32N2O and a molecular weight of 280.46 g/mol. Its IUPAC name is 3-cyclopropyl-4-(2-propoxyethyl)-1,4-diazaspiro[5.5]undecane.

Molecular Properties

Compound Name3-cyclopropyl-4-(2-propoxyethyl)-1,4-diazaspiro[5.5]undecane
PubChem CID106458748
Molecular FormulaC17H32N2O
Molecular Weight280.46 g/mol
Exact Mass280.25
IUPAC Name3-cyclopropyl-4-(2-propoxyethyl)-1,4-diazaspiro[5.5]undecane
SMILESCCCOCCN1CC2(CCCCC2)NCC1C1CC1
InChIInChI=1S/C17H32N2O/c1-2-11-20-12-10-19-14-17(8-4-3-5-9-17)18-13-16(19)15-6-7-15/h15-16,18H,2-14H2,1H3
InChIKeyJBQSJNPDKWUQAY-UHFFFAOYSA-N
XLogP2.80
TPSA24.50 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
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

8-ethyl-9-(3-propoxypropyl)-6,9-diazaspiro[4.5]decane
CID 82947690
4-(cyclobutylmethyl)-3-cyclopropyl-1,4-diazaspiro[5.5]undecane
CID 65461677
2-cyclohexyl-1-(2-ethoxyethyl)-5,5-diethylpiperazine
CID 64860257
9-(2-ethoxyethyl)-8-propan-2-yl-6,9-diazaspiro[4.5]decane
CID 64878522
3-cyclopropyl-4-[(1-methylpyrazol-3-yl)methyl]-1,4-diazaspiro[5.5]undecane
CID 82872339
8-cyclopropyl-9-[(2-methyltetrazol-5-yl)methyl]-6,9-diazaspiro[4.5]decane
CID 107055892
9-(2-propoxyethyl)-6,9-diazaspiro[4.5]decane
CID 106458471
8-ethyl-8-methyl-9-(2-propoxyethyl)-6,9-diazaspiro[4.5]decane
CID 106458732
8-tert-butyl-9-[2-(2-methoxyethoxy)ethyl]-6,9-diazaspiro[4.5]decane
CID 64877000
8-cyclopropyl-9-[2-(2-methylpyrazol-3-yl)ethyl]-6,9-diazaspiro[4.5]decane
CID 103016553
8-ethyl-9-[3-(2-methoxyethoxy)propyl]-6,9-diazaspiro[4.5]decane
CID 103414318
8-cyclopropyl-9-(pyrimidin-2-ylmethyl)-6,9-diazaspiro[4.5]decane
CID 64878339

Frequently Asked Questions

What is the IUPAC name of 3-cyclopropyl-4-(2-propoxyethyl)-1,4-diazaspiro[5.5]undecane?
The IUPAC name of 3-cyclopropyl-4-(2-propoxyethyl)-1,4-diazaspiro[5.5]undecane (CID 106458748) is 3-cyclopropyl-4-(2-propoxyethyl)-1,4-diazaspiro[5.5]undecane.
What is the SMILES notation for 3-cyclopropyl-4-(2-propoxyethyl)-1,4-diazaspiro[5.5]undecane?
The canonical SMILES for 3-cyclopropyl-4-(2-propoxyethyl)-1,4-diazaspiro[5.5]undecane is CCCOCCN1CC2(CCCCC2)NCC1C1CC1.
What is the InChIKey of 3-cyclopropyl-4-(2-propoxyethyl)-1,4-diazaspiro[5.5]undecane?
The InChIKey is JBQSJNPDKWUQAY-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H32N2O/c1-2-11-20-12-10-19-14-17(8-4-3-5-9-17)18-13-16(19)15-6-7-15/h15-16,18H,2-14H2,1H3.
What are the key properties of 3-cyclopropyl-4-(2-propoxyethyl)-1,4-diazaspiro[5.5]undecane?
3-cyclopropyl-4-(2-propoxyethyl)-1,4-diazaspiro[5.5]undecane has a molecular weight of 280.46 g/mol, XLogP of 2.80, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-cyclopropyl-4-(2-propoxyethyl)-1,4-diazaspiro[5.5]undecane is sourced from PubChem (CID 106458748), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).