N-but-3-en-2-yl-N-methyl-1,4-dioxaspiro[4.5]decan-8-amine

C13H23NO2 — CID 79120318

IUPACN-but-3-en-2-yl-N-methyl-1,4-dioxaspiro[4.5]decan-8-amine
SMILESC=CC(C)N(C)C1CCC2(CC1)OCCO2
InChIInChI=1S/C13H23NO2/c1-4-11(2)14(3)12-5-7-13(8-6-12)15-9-10-16-13/h4,11-12H,1,5-10H2,2-3H3
InChIKeyYJOUOBMCDBYMNX-UHFFFAOYSA-N
MW225.33 g/mol
LogP2.18
Rot. Bonds3

About N-but-3-en-2-yl-N-methyl-1,4-dioxaspiro[4.5]decan-8-amine

N-but-3-en-2-yl-N-methyl-1,4-dioxaspiro[4.5]decan-8-amine (PubChem CID 79120318) has the molecular formula C13H23NO2 and a molecular weight of 225.33 g/mol. Its IUPAC name is N-but-3-en-2-yl-N-methyl-1,4-dioxaspiro[4.5]decan-8-amine.

Molecular Properties

Compound NameN-but-3-en-2-yl-N-methyl-1,4-dioxaspiro[4.5]decan-8-amine
PubChem CID79120318
Molecular FormulaC13H23NO2
Molecular Weight225.33 g/mol
Exact Mass225.17
IUPAC NameN-but-3-en-2-yl-N-methyl-1,4-dioxaspiro[4.5]decan-8-amine
SMILESC=CC(C)N(C)C1CCC2(CC1)OCCO2
InChIInChI=1S/C13H23NO2/c1-4-11(2)14(3)12-5-7-13(8-6-12)15-9-10-16-13/h4,11-12H,1,5-10H2,2-3H3
InChIKeyYJOUOBMCDBYMNX-UHFFFAOYSA-N
XLogP2.18
TPSA21.70 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500225.33
LogP ≤ 52.18
H-Bond Donors ≤ 50
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 N-but-3-en-2-yl-N-methyl-1,4-dioxaspiro[4.5]decan-8-amine?
The IUPAC name of N-but-3-en-2-yl-N-methyl-1,4-dioxaspiro[4.5]decan-8-amine (CID 79120318) is N-but-3-en-2-yl-N-methyl-1,4-dioxaspiro[4.5]decan-8-amine.
What is the SMILES notation for N-but-3-en-2-yl-N-methyl-1,4-dioxaspiro[4.5]decan-8-amine?
The canonical SMILES for N-but-3-en-2-yl-N-methyl-1,4-dioxaspiro[4.5]decan-8-amine is C=CC(C)N(C)C1CCC2(CC1)OCCO2.
What is the InChIKey of N-but-3-en-2-yl-N-methyl-1,4-dioxaspiro[4.5]decan-8-amine?
The InChIKey is YJOUOBMCDBYMNX-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H23NO2/c1-4-11(2)14(3)12-5-7-13(8-6-12)15-9-10-16-13/h4,11-12H,1,5-10H2,2-3H3.
What are the key properties of N-but-3-en-2-yl-N-methyl-1,4-dioxaspiro[4.5]decan-8-amine?
N-but-3-en-2-yl-N-methyl-1,4-dioxaspiro[4.5]decan-8-amine has a molecular weight of 225.33 g/mol, XLogP of 2.18, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-but-3-en-2-yl-N-methyl-1,4-dioxaspiro[4.5]decan-8-amine is sourced from PubChem (CID 79120318), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).