N-benzyl-8-prop-2-enyl-1,4-dioxaspiro[4.5]decan-8-amine

C18H25NO2 — CID 11818538

IUPACN-benzyl-8-prop-2-enyl-1,4-dioxaspiro[4.5]decan-8-amine
SMILESC=CCC1(NCc2ccccc2)CCC2(CC1)OCCO2
InChIInChI=1S/C18H25NO2/c1-2-8-17(19-15-16-6-4-3-5-7-16)9-11-18(12-10-17)20-13-14-21-18/h2-7,19H,1,8-15H2
InChIKeyNIPNLZBIWSBNBK-UHFFFAOYSA-N
MW287.40 g/mol
LogP3.41
Rot. Bonds5

About N-benzyl-8-prop-2-enyl-1,4-dioxaspiro[4.5]decan-8-amine

N-benzyl-8-prop-2-enyl-1,4-dioxaspiro[4.5]decan-8-amine (PubChem CID 11818538) has the molecular formula C18H25NO2 and a molecular weight of 287.40 g/mol. Its IUPAC name is N-benzyl-8-prop-2-enyl-1,4-dioxaspiro[4.5]decan-8-amine.

Molecular Properties

Compound NameN-benzyl-8-prop-2-enyl-1,4-dioxaspiro[4.5]decan-8-amine
PubChem CID11818538
Molecular FormulaC18H25NO2
Molecular Weight287.40 g/mol
Exact Mass287.19
IUPAC NameN-benzyl-8-prop-2-enyl-1,4-dioxaspiro[4.5]decan-8-amine
SMILESC=CCC1(NCc2ccccc2)CCC2(CC1)OCCO2
InChIInChI=1S/C18H25NO2/c1-2-8-17(19-15-16-6-4-3-5-7-16)9-11-18(12-10-17)20-13-14-21-18/h2-7,19H,1,8-15H2
InChIKeyNIPNLZBIWSBNBK-UHFFFAOYSA-N
XLogP3.41
TPSA30.49 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500287.40
LogP ≤ 53.41
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 N-benzyl-8-prop-2-enyl-1,4-dioxaspiro[4.5]decan-8-amine?
The IUPAC name of N-benzyl-8-prop-2-enyl-1,4-dioxaspiro[4.5]decan-8-amine (CID 11818538) is N-benzyl-8-prop-2-enyl-1,4-dioxaspiro[4.5]decan-8-amine.
What is the SMILES notation for N-benzyl-8-prop-2-enyl-1,4-dioxaspiro[4.5]decan-8-amine?
The canonical SMILES for N-benzyl-8-prop-2-enyl-1,4-dioxaspiro[4.5]decan-8-amine is C=CCC1(NCc2ccccc2)CCC2(CC1)OCCO2.
What is the InChIKey of N-benzyl-8-prop-2-enyl-1,4-dioxaspiro[4.5]decan-8-amine?
The InChIKey is NIPNLZBIWSBNBK-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H25NO2/c1-2-8-17(19-15-16-6-4-3-5-7-16)9-11-18(12-10-17)20-13-14-21-18/h2-7,19H,1,8-15H2.
What are the key properties of N-benzyl-8-prop-2-enyl-1,4-dioxaspiro[4.5]decan-8-amine?
N-benzyl-8-prop-2-enyl-1,4-dioxaspiro[4.5]decan-8-amine has a molecular weight of 287.40 g/mol, XLogP of 3.41, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-benzyl-8-prop-2-enyl-1,4-dioxaspiro[4.5]decan-8-amine is sourced from PubChem (CID 11818538), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).