3-[2-methyl-3-(1-oxaspiro[4.5]decan-2-yl)prop-2-enyl]morpholine

C17H29NO2 — CID 102902837

IUPAC3-[2-methyl-3-(1-oxaspiro[4.5]decan-2-yl)prop-2-enyl]morpholine
SMILESCC(=CC1CCC2(CCCCC2)O1)CC1COCCN1
InChIInChI=1S/C17H29NO2/c1-14(11-15-13-19-10-9-18-15)12-16-5-8-17(20-16)6-3-2-4-7-17/h12,15-16,18H,2-11,13H2,1H3
InChIKeyJRTIDIWQCJGNTJ-UHFFFAOYSA-N
MW279.42 g/mol
LogP3.19
Rot. Bonds3

About 3-[2-methyl-3-(1-oxaspiro[4.5]decan-2-yl)prop-2-enyl]morpholine

3-[2-methyl-3-(1-oxaspiro[4.5]decan-2-yl)prop-2-enyl]morpholine (PubChem CID 102902837) has the molecular formula C17H29NO2 and a molecular weight of 279.42 g/mol. Its IUPAC name is 3-[2-methyl-3-(1-oxaspiro[4.5]decan-2-yl)prop-2-enyl]morpholine.

Molecular Properties

Compound Name3-[2-methyl-3-(1-oxaspiro[4.5]decan-2-yl)prop-2-enyl]morpholine
PubChem CID102902837
Molecular FormulaC17H29NO2
Molecular Weight279.42 g/mol
Exact Mass279.22
IUPAC Name3-[2-methyl-3-(1-oxaspiro[4.5]decan-2-yl)prop-2-enyl]morpholine
SMILESCC(=CC1CCC2(CCCCC2)O1)CC1COCCN1
InChIInChI=1S/C17H29NO2/c1-14(11-15-13-19-10-9-18-15)12-16-5-8-17(20-16)6-3-2-4-7-17/h12,15-16,18H,2-11,13H2,1H3
InChIKeyJRTIDIWQCJGNTJ-UHFFFAOYSA-N
XLogP3.19
TPSA30.49 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500279.42
LogP ≤ 53.19
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Related Compounds

4-Fluoro-2-[6-(2-methylprop-1-enyl)oxan-2-yl]-4-(2-methylpropyl)piperidine
CID 146488690
(E)-2-cyclohexyl-N-(2-methoxyethyl)-3-(oxolan-2-yl)prop-2-en-1-amine
CID 82837260
(E)-2-cyclohexyl-N-(2-methoxyethyl)-3-(5-methyloxolan-2-yl)prop-2-en-1-amine
CID 82839656
4-(1-Oxaspiro[4.5]decan-2-ylmethylidene)piperidine
CID 102902804
2-[2-Methyl-3-(1-oxaspiro[4.5]decan-2-yl)prop-2-enyl]piperidine
CID 102902835
2-[2-Methyl-3-(1-oxaspiro[4.4]nonan-2-yl)prop-2-enyl]piperidine
CID 102902836
3-[2-Methyl-3-(1-oxaspiro[4.4]nonan-2-yl)prop-2-enyl]morpholine
CID 102902839
3-[(Z)-2-methyl-3-(5-methyloxolan-2-yl)prop-2-enyl]morpholine
CID 103143073
2-[3-(5,5-Dimethyloxolan-2-yl)-2-methylprop-2-enyl]piperidine
CID 104889629
3-[3-(5,5-Dimethyloxolan-2-yl)-2-methylprop-2-enyl]morpholine
CID 104889630
(3Z)-3-(1-oxaspiro[4.5]decan-2-ylmethylidene)piperidine
CID 113751065
2-cyclohexyl-N-(2-methoxyethyl)-3-(oxolan-2-yl)prop-2-en-1-amine
CID 115278812

Frequently Asked Questions

What is the IUPAC name of 3-[2-methyl-3-(1-oxaspiro[4.5]decan-2-yl)prop-2-enyl]morpholine?
The IUPAC name of 3-[2-methyl-3-(1-oxaspiro[4.5]decan-2-yl)prop-2-enyl]morpholine (CID 102902837) is 3-[2-methyl-3-(1-oxaspiro[4.5]decan-2-yl)prop-2-enyl]morpholine.
What is the SMILES notation for 3-[2-methyl-3-(1-oxaspiro[4.5]decan-2-yl)prop-2-enyl]morpholine?
The canonical SMILES for 3-[2-methyl-3-(1-oxaspiro[4.5]decan-2-yl)prop-2-enyl]morpholine is CC(=CC1CCC2(CCCCC2)O1)CC1COCCN1.
What is the InChIKey of 3-[2-methyl-3-(1-oxaspiro[4.5]decan-2-yl)prop-2-enyl]morpholine?
The InChIKey is JRTIDIWQCJGNTJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H29NO2/c1-14(11-15-13-19-10-9-18-15)12-16-5-8-17(20-16)6-3-2-4-7-17/h12,15-16,18H,2-11,13H2,1H3.
What are the key properties of 3-[2-methyl-3-(1-oxaspiro[4.5]decan-2-yl)prop-2-enyl]morpholine?
3-[2-methyl-3-(1-oxaspiro[4.5]decan-2-yl)prop-2-enyl]morpholine has a molecular weight of 279.42 g/mol, XLogP of 3.19, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[2-methyl-3-(1-oxaspiro[4.5]decan-2-yl)prop-2-enyl]morpholine is sourced from PubChem (CID 102902837), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).