1-(2,6-dioxaspiro[4.5]decan-9-yl)-N-methylbut-3-en-1-amine

C13H23NO2 — CID 116660522

IUPAC1-(2,6-dioxaspiro[4.5]decan-9-yl)-N-methylbut-3-en-1-amine
SMILESC=CCC(NC)C1CCOC2(CCOC2)C1
InChIInChI=1S/C13H23NO2/c1-3-4-12(14-2)11-5-7-16-13(9-11)6-8-15-10-13/h3,11-12,14H,1,4-10H2,2H3
InChIKeyFYWXNTIEBQPIAS-UHFFFAOYSA-N
MW225.33 g/mol
LogP1.74
Rot. Bonds4

About 1-(2,6-dioxaspiro[4.5]decan-9-yl)-N-methylbut-3-en-1-amine

1-(2,6-dioxaspiro[4.5]decan-9-yl)-N-methylbut-3-en-1-amine (PubChem CID 116660522) has the molecular formula C13H23NO2 and a molecular weight of 225.33 g/mol. Its IUPAC name is 1-(2,6-dioxaspiro[4.5]decan-9-yl)-N-methylbut-3-en-1-amine.

Molecular Properties

Compound Name1-(2,6-dioxaspiro[4.5]decan-9-yl)-N-methylbut-3-en-1-amine
PubChem CID116660522
Molecular FormulaC13H23NO2
Molecular Weight225.33 g/mol
Exact Mass225.17
IUPAC Name1-(2,6-dioxaspiro[4.5]decan-9-yl)-N-methylbut-3-en-1-amine
SMILESC=CCC(NC)C1CCOC2(CCOC2)C1
InChIInChI=1S/C13H23NO2/c1-3-4-12(14-2)11-5-7-16-13(9-11)6-8-15-10-13/h3,11-12,14H,1,4-10H2,2H3
InChIKeyFYWXNTIEBQPIAS-UHFFFAOYSA-N
XLogP1.74
TPSA30.49 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500225.33
LogP ≤ 51.74
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

1-(2,6-dioxaspiro[4.5]decan-9-yl)-N-methylpentan-1-amine
CID 79911806
1-(1,9-dioxaspiro[5.5]undecan-4-yl)-N-propylbut-3-en-1-amine
CID 116661007
2-cyclohexylsulfanyl-1-(2,6-dioxaspiro[4.5]decan-9-yl)-N-methylethanamine
CID 79910267
1-(2,6-dioxaspiro[4.5]decan-9-yl)-3-methoxy-N-methylbutan-1-amine
CID 113391381
1-(2,6-dioxaspiro[4.5]decan-9-yl)-4-methoxy-N-methylbutan-1-amine
CID 79914979
1-(2,6-dioxaspiro[4.5]decan-9-yl)-2-(1-methoxycyclobutyl)-N-methylethanamine
CID 103559654
1-(2,6-dioxaspiro[4.5]decan-9-yl)-N,3,5,5-tetramethylhexan-1-amine
CID 105017181
1-(1,9-dioxaspiro[5.5]undecan-4-yl)-N-methyl-2-methylsulfanylethanamine
CID 79915523
3-(2,2-difluoroethoxy)-1-(2,6-dioxaspiro[4.5]decan-9-yl)-N-methylpropan-1-amine
CID 103149172
1-(6-oxaspiro[4.5]decan-9-yl)but-3-enylhydrazine
CID 105269800
1-(2,6-dioxaspiro[4.5]decan-9-yl)-N,2,2-trimethylpropan-1-amine
CID 79914724
1-(2,6-dioxaspiro[4.5]decan-9-yl)-N-propylpropan-1-amine
CID 79915597

Frequently Asked Questions

What is the IUPAC name of 1-(2,6-dioxaspiro[4.5]decan-9-yl)-N-methylbut-3-en-1-amine?
The IUPAC name of 1-(2,6-dioxaspiro[4.5]decan-9-yl)-N-methylbut-3-en-1-amine (CID 116660522) is 1-(2,6-dioxaspiro[4.5]decan-9-yl)-N-methylbut-3-en-1-amine.
What is the SMILES notation for 1-(2,6-dioxaspiro[4.5]decan-9-yl)-N-methylbut-3-en-1-amine?
The canonical SMILES for 1-(2,6-dioxaspiro[4.5]decan-9-yl)-N-methylbut-3-en-1-amine is C=CCC(NC)C1CCOC2(CCOC2)C1.
What is the InChIKey of 1-(2,6-dioxaspiro[4.5]decan-9-yl)-N-methylbut-3-en-1-amine?
The InChIKey is FYWXNTIEBQPIAS-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H23NO2/c1-3-4-12(14-2)11-5-7-16-13(9-11)6-8-15-10-13/h3,11-12,14H,1,4-10H2,2H3.
What are the key properties of 1-(2,6-dioxaspiro[4.5]decan-9-yl)-N-methylbut-3-en-1-amine?
1-(2,6-dioxaspiro[4.5]decan-9-yl)-N-methylbut-3-en-1-amine has a molecular weight of 225.33 g/mol, XLogP of 1.74, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2,6-dioxaspiro[4.5]decan-9-yl)-N-methylbut-3-en-1-amine is sourced from PubChem (CID 116660522), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).