3-ethoxy-N-(3-fluoropropyl)spiro[3.3]heptan-1-amine

C12H22FNO — CID 115906513

IUPAC3-ethoxy-N-(3-fluoropropyl)spiro[3.3]heptan-1-amine
SMILESCCOC1CC(NCCCF)C12CCC2
InChIInChI=1S/C12H22FNO/c1-2-15-11-9-10(14-8-4-7-13)12(11)5-3-6-12/h10-11,14H,2-9H2,1H3
InChIKeySXUBMSJCIIONDI-UHFFFAOYSA-N
MW215.31 g/mol
LogP2.28
Rot. Bonds6

About 3-ethoxy-N-(3-fluoropropyl)spiro[3.3]heptan-1-amine

3-ethoxy-N-(3-fluoropropyl)spiro[3.3]heptan-1-amine (PubChem CID 115906513) has the molecular formula C12H22FNO and a molecular weight of 215.31 g/mol. Its IUPAC name is 3-ethoxy-N-(3-fluoropropyl)spiro[3.3]heptan-1-amine.

Molecular Properties

Compound Name3-ethoxy-N-(3-fluoropropyl)spiro[3.3]heptan-1-amine
PubChem CID115906513
Molecular FormulaC12H22FNO
Molecular Weight215.31 g/mol
Exact Mass215.17
IUPAC Name3-ethoxy-N-(3-fluoropropyl)spiro[3.3]heptan-1-amine
SMILESCCOC1CC(NCCCF)C12CCC2
InChIInChI=1S/C12H22FNO/c1-2-15-11-9-10(14-8-4-7-13)12(11)5-3-6-12/h10-11,14H,2-9H2,1H3
InChIKeySXUBMSJCIIONDI-UHFFFAOYSA-N
XLogP2.28
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500215.31
LogP ≤ 52.28
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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-(3-fluoropropyl)spiro[3.3]heptan-1-amine?
The IUPAC name of 3-ethoxy-N-(3-fluoropropyl)spiro[3.3]heptan-1-amine (CID 115906513) is 3-ethoxy-N-(3-fluoropropyl)spiro[3.3]heptan-1-amine.
What is the SMILES notation for 3-ethoxy-N-(3-fluoropropyl)spiro[3.3]heptan-1-amine?
The canonical SMILES for 3-ethoxy-N-(3-fluoropropyl)spiro[3.3]heptan-1-amine is CCOC1CC(NCCCF)C12CCC2.
What is the InChIKey of 3-ethoxy-N-(3-fluoropropyl)spiro[3.3]heptan-1-amine?
The InChIKey is SXUBMSJCIIONDI-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H22FNO/c1-2-15-11-9-10(14-8-4-7-13)12(11)5-3-6-12/h10-11,14H,2-9H2,1H3.
What are the key properties of 3-ethoxy-N-(3-fluoropropyl)spiro[3.3]heptan-1-amine?
3-ethoxy-N-(3-fluoropropyl)spiro[3.3]heptan-1-amine has a molecular weight of 215.31 g/mol, XLogP of 2.28, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-ethoxy-N-(3-fluoropropyl)spiro[3.3]heptan-1-amine is sourced from PubChem (CID 115906513), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).