3-ethoxy-N-[2-(2-methoxyethoxy)ethyl]spiro[3.5]nonan-1-amine

C16H31NO3 — CID 65169334

IUPAC3-ethoxy-N-[2-(2-methoxyethoxy)ethyl]spiro[3.5]nonan-1-amine
SMILESCCOC1CC(NCCOCCOC)C12CCCCC2
InChIInChI=1S/C16H31NO3/c1-3-20-15-13-14(16(15)7-5-4-6-8-16)17-9-10-19-12-11-18-2/h14-15,17H,3-13H2,1-2H3
InChIKeyXNNUKEPQDQUOCM-UHFFFAOYSA-N
MW285.43 g/mol
LogP2.37
Rot. Bonds9

About 3-ethoxy-N-[2-(2-methoxyethoxy)ethyl]spiro[3.5]nonan-1-amine

3-ethoxy-N-[2-(2-methoxyethoxy)ethyl]spiro[3.5]nonan-1-amine (PubChem CID 65169334) has the molecular formula C16H31NO3 and a molecular weight of 285.43 g/mol. Its IUPAC name is 3-ethoxy-N-[2-(2-methoxyethoxy)ethyl]spiro[3.5]nonan-1-amine.

Molecular Properties

Compound Name3-ethoxy-N-[2-(2-methoxyethoxy)ethyl]spiro[3.5]nonan-1-amine
PubChem CID65169334
Molecular FormulaC16H31NO3
Molecular Weight285.43 g/mol
Exact Mass285.23
IUPAC Name3-ethoxy-N-[2-(2-methoxyethoxy)ethyl]spiro[3.5]nonan-1-amine
SMILESCCOC1CC(NCCOCCOC)C12CCCCC2
InChIInChI=1S/C16H31NO3/c1-3-20-15-13-14(16(15)7-5-4-6-8-16)17-9-10-19-12-11-18-2/h14-15,17H,3-13H2,1-2H3
InChIKeyXNNUKEPQDQUOCM-UHFFFAOYSA-N
XLogP2.37
TPSA39.72 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500285.43
LogP ≤ 52.37
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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 3-ethoxy-N-[2-(2-methoxyethoxy)ethyl]spiro[3.5]nonan-1-amine?
The IUPAC name of 3-ethoxy-N-[2-(2-methoxyethoxy)ethyl]spiro[3.5]nonan-1-amine (CID 65169334) is 3-ethoxy-N-[2-(2-methoxyethoxy)ethyl]spiro[3.5]nonan-1-amine.
What is the SMILES notation for 3-ethoxy-N-[2-(2-methoxyethoxy)ethyl]spiro[3.5]nonan-1-amine?
The canonical SMILES for 3-ethoxy-N-[2-(2-methoxyethoxy)ethyl]spiro[3.5]nonan-1-amine is CCOC1CC(NCCOCCOC)C12CCCCC2.
What is the InChIKey of 3-ethoxy-N-[2-(2-methoxyethoxy)ethyl]spiro[3.5]nonan-1-amine?
The InChIKey is XNNUKEPQDQUOCM-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H31NO3/c1-3-20-15-13-14(16(15)7-5-4-6-8-16)17-9-10-19-12-11-18-2/h14-15,17H,3-13H2,1-2H3.
What are the key properties of 3-ethoxy-N-[2-(2-methoxyethoxy)ethyl]spiro[3.5]nonan-1-amine?
3-ethoxy-N-[2-(2-methoxyethoxy)ethyl]spiro[3.5]nonan-1-amine has a molecular weight of 285.43 g/mol, XLogP of 2.37, 9 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-ethoxy-N-[2-(2-methoxyethoxy)ethyl]spiro[3.5]nonan-1-amine is sourced from PubChem (CID 65169334), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).