2-fluoro-N-methyl-3-spiro[3.3]heptan-2-ylpropan-1-amine

C11H20FN — CID 122240287

IUPAC2-fluoro-N-methyl-3-spiro[3.3]heptan-2-ylpropan-1-amine
SMILESCNCC(F)CC1CC2(CCC2)C1
InChIInChI=1S/C11H20FN/c1-13-8-10(12)5-9-6-11(7-9)3-2-4-11/h9-10,13H,2-8H2,1H3
InChIKeyWHJNDLFAIJVFDC-UHFFFAOYSA-N
MW185.29 g/mol
LogP2.51
Rot. Bonds4

About 2-fluoro-N-methyl-3-spiro[3.3]heptan-2-ylpropan-1-amine

2-fluoro-N-methyl-3-spiro[3.3]heptan-2-ylpropan-1-amine (PubChem CID 122240287) has the molecular formula C11H20FN and a molecular weight of 185.29 g/mol. Its IUPAC name is 2-fluoro-N-methyl-3-spiro[3.3]heptan-2-ylpropan-1-amine.

Molecular Properties

Compound Name2-fluoro-N-methyl-3-spiro[3.3]heptan-2-ylpropan-1-amine
PubChem CID122240287
Molecular FormulaC11H20FN
Molecular Weight185.29 g/mol
Exact Mass185.16
IUPAC Name2-fluoro-N-methyl-3-spiro[3.3]heptan-2-ylpropan-1-amine
SMILESCNCC(F)CC1CC2(CCC2)C1
InChIInChI=1S/C11H20FN/c1-13-8-10(12)5-9-6-11(7-9)3-2-4-11/h9-10,13H,2-8H2,1H3
InChIKeyWHJNDLFAIJVFDC-UHFFFAOYSA-N
XLogP2.51
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500185.29
LogP ≤ 52.51
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 2-fluoro-N-methyl-3-spiro[3.3]heptan-2-ylpropan-1-amine?
The IUPAC name of 2-fluoro-N-methyl-3-spiro[3.3]heptan-2-ylpropan-1-amine (CID 122240287) is 2-fluoro-N-methyl-3-spiro[3.3]heptan-2-ylpropan-1-amine.
What is the SMILES notation for 2-fluoro-N-methyl-3-spiro[3.3]heptan-2-ylpropan-1-amine?
The canonical SMILES for 2-fluoro-N-methyl-3-spiro[3.3]heptan-2-ylpropan-1-amine is CNCC(F)CC1CC2(CCC2)C1.
What is the InChIKey of 2-fluoro-N-methyl-3-spiro[3.3]heptan-2-ylpropan-1-amine?
The InChIKey is WHJNDLFAIJVFDC-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H20FN/c1-13-8-10(12)5-9-6-11(7-9)3-2-4-11/h9-10,13H,2-8H2,1H3.
What are the key properties of 2-fluoro-N-methyl-3-spiro[3.3]heptan-2-ylpropan-1-amine?
2-fluoro-N-methyl-3-spiro[3.3]heptan-2-ylpropan-1-amine has a molecular weight of 185.29 g/mol, XLogP of 2.51, 4 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-fluoro-N-methyl-3-spiro[3.3]heptan-2-ylpropan-1-amine is sourced from PubChem (CID 122240287), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).