1-(8-ethyl-1,4-dioxaspiro[4.5]decan-8-yl)prop-2-en-1-amine

C13H23NO2 — CID 68990663

IUPAC1-(8-ethyl-1,4-dioxaspiro[4.5]decan-8-yl)prop-2-en-1-amine
SMILESC=CC(N)C1(CC)CCC2(CC1)OCCO2
InChIInChI=1S/C13H23NO2/c1-3-11(14)12(4-2)5-7-13(8-6-12)15-9-10-16-13/h3,11H,1,4-10,14H2,2H3
InChIKeyLDGBDEMQDYCEIB-UHFFFAOYSA-N
MW225.33 g/mol
LogP2.21
Rot. Bonds3

About 1-(8-ethyl-1,4-dioxaspiro[4.5]decan-8-yl)prop-2-en-1-amine

1-(8-ethyl-1,4-dioxaspiro[4.5]decan-8-yl)prop-2-en-1-amine (PubChem CID 68990663) has the molecular formula C13H23NO2 and a molecular weight of 225.33 g/mol. Its IUPAC name is 1-(8-ethyl-1,4-dioxaspiro[4.5]decan-8-yl)prop-2-en-1-amine.

Molecular Properties

Compound Name1-(8-ethyl-1,4-dioxaspiro[4.5]decan-8-yl)prop-2-en-1-amine
PubChem CID68990663
Molecular FormulaC13H23NO2
Molecular Weight225.33 g/mol
Exact Mass225.17
IUPAC Name1-(8-ethyl-1,4-dioxaspiro[4.5]decan-8-yl)prop-2-en-1-amine
SMILESC=CC(N)C1(CC)CCC2(CC1)OCCO2
InChIInChI=1S/C13H23NO2/c1-3-11(14)12(4-2)5-7-13(8-6-12)15-9-10-16-13/h3,11H,1,4-10,14H2,2H3
InChIKeyLDGBDEMQDYCEIB-UHFFFAOYSA-N
XLogP2.21
TPSA44.48 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500225.33
LogP ≤ 52.21
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 1-(8-ethyl-1,4-dioxaspiro[4.5]decan-8-yl)prop-2-en-1-amine?
The IUPAC name of 1-(8-ethyl-1,4-dioxaspiro[4.5]decan-8-yl)prop-2-en-1-amine (CID 68990663) is 1-(8-ethyl-1,4-dioxaspiro[4.5]decan-8-yl)prop-2-en-1-amine.
What is the SMILES notation for 1-(8-ethyl-1,4-dioxaspiro[4.5]decan-8-yl)prop-2-en-1-amine?
The canonical SMILES for 1-(8-ethyl-1,4-dioxaspiro[4.5]decan-8-yl)prop-2-en-1-amine is C=CC(N)C1(CC)CCC2(CC1)OCCO2.
What is the InChIKey of 1-(8-ethyl-1,4-dioxaspiro[4.5]decan-8-yl)prop-2-en-1-amine?
The InChIKey is LDGBDEMQDYCEIB-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H23NO2/c1-3-11(14)12(4-2)5-7-13(8-6-12)15-9-10-16-13/h3,11H,1,4-10,14H2,2H3.
What are the key properties of 1-(8-ethyl-1,4-dioxaspiro[4.5]decan-8-yl)prop-2-en-1-amine?
1-(8-ethyl-1,4-dioxaspiro[4.5]decan-8-yl)prop-2-en-1-amine has a molecular weight of 225.33 g/mol, XLogP of 2.21, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(8-ethyl-1,4-dioxaspiro[4.5]decan-8-yl)prop-2-en-1-amine is sourced from PubChem (CID 68990663), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).