N-benzyl-2-(1,4-dioxaspiro[4.5]decan-6-yl)ethanamine

C17H25NO2 — CID 11288874

IUPACN-benzyl-2-(1,4-dioxaspiro[4.5]decan-6-yl)ethanamine
SMILESc1ccc(CNCCC2CCCCC23OCCO3)cc1
InChIInChI=1S/C17H25NO2/c1-2-6-15(7-3-1)14-18-11-9-16-8-4-5-10-17(16)19-12-13-20-17/h1-3,6-7,16,18H,4-5,8-14H2
InChIKeyUQEOXMGUOHEBPB-UHFFFAOYSA-N
MW275.39 g/mol
LogP3.10
Rot. Bonds5

About N-benzyl-2-(1,4-dioxaspiro[4.5]decan-6-yl)ethanamine

N-benzyl-2-(1,4-dioxaspiro[4.5]decan-6-yl)ethanamine (PubChem CID 11288874) has the molecular formula C17H25NO2 and a molecular weight of 275.39 g/mol. Its IUPAC name is N-benzyl-2-(1,4-dioxaspiro[4.5]decan-6-yl)ethanamine.

Molecular Properties

Compound NameN-benzyl-2-(1,4-dioxaspiro[4.5]decan-6-yl)ethanamine
PubChem CID11288874
Molecular FormulaC17H25NO2
Molecular Weight275.39 g/mol
Exact Mass275.19
IUPAC NameN-benzyl-2-(1,4-dioxaspiro[4.5]decan-6-yl)ethanamine
SMILESc1ccc(CNCCC2CCCCC23OCCO3)cc1
InChIInChI=1S/C17H25NO2/c1-2-6-15(7-3-1)14-18-11-9-16-8-4-5-10-17(16)19-12-13-20-17/h1-3,6-7,16,18H,4-5,8-14H2
InChIKeyUQEOXMGUOHEBPB-UHFFFAOYSA-N
XLogP3.10
TPSA30.49 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500275.39
LogP ≤ 53.10
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of N-benzyl-2-(1,4-dioxaspiro[4.5]decan-6-yl)ethanamine?
The IUPAC name of N-benzyl-2-(1,4-dioxaspiro[4.5]decan-6-yl)ethanamine (CID 11288874) is N-benzyl-2-(1,4-dioxaspiro[4.5]decan-6-yl)ethanamine.
What is the SMILES notation for N-benzyl-2-(1,4-dioxaspiro[4.5]decan-6-yl)ethanamine?
The canonical SMILES for N-benzyl-2-(1,4-dioxaspiro[4.5]decan-6-yl)ethanamine is c1ccc(CNCCC2CCCCC23OCCO3)cc1.
What is the InChIKey of N-benzyl-2-(1,4-dioxaspiro[4.5]decan-6-yl)ethanamine?
The InChIKey is UQEOXMGUOHEBPB-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H25NO2/c1-2-6-15(7-3-1)14-18-11-9-16-8-4-5-10-17(16)19-12-13-20-17/h1-3,6-7,16,18H,4-5,8-14H2.
What are the key properties of N-benzyl-2-(1,4-dioxaspiro[4.5]decan-6-yl)ethanamine?
N-benzyl-2-(1,4-dioxaspiro[4.5]decan-6-yl)ethanamine has a molecular weight of 275.39 g/mol, XLogP of 3.10, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-benzyl-2-(1,4-dioxaspiro[4.5]decan-6-yl)ethanamine is sourced from PubChem (CID 11288874), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).