1-[(2S,4S)-4-fluoro-1-(1-oxaspiro[4.4]nonan-2-ylmethyl)pyrrolidin-2-yl]-N-methylmethanamine

C15H27FN2O — CID 138056632

IUPAC1-[(2S,4S)-4-fluoro-1-(1-oxaspiro[4.4]nonan-2-ylmethyl)pyrrolidin-2-yl]-N-methylmethanamine
SMILESCNC[C@@H]1C[C@H](F)CN1CC1CCC2(CCCC2)O1
InChIInChI=1S/C15H27FN2O/c1-17-9-13-8-12(16)10-18(13)11-14-4-7-15(19-14)5-2-3-6-15/h12-14,17H,2-11H2,1H3/t12-,13-,14?/m0/s1
InChIKeyHFYJQGYUEIWUDI-RFHHWMCGSA-N
MW270.39 g/mol
LogP2.11
Rot. Bonds4

About 1-[(2S,4S)-4-fluoro-1-(1-oxaspiro[4.4]nonan-2-ylmethyl)pyrrolidin-2-yl]-N-methylmethanamine

1-[(2S,4S)-4-fluoro-1-(1-oxaspiro[4.4]nonan-2-ylmethyl)pyrrolidin-2-yl]-N-methylmethanamine (PubChem CID 138056632) has the molecular formula C15H27FN2O and a molecular weight of 270.39 g/mol. Its IUPAC name is 1-[(2S,4S)-4-fluoro-1-(1-oxaspiro[4.4]nonan-2-ylmethyl)pyrrolidin-2-yl]-N-methylmethanamine.

Molecular Properties

Compound Name1-[(2S,4S)-4-fluoro-1-(1-oxaspiro[4.4]nonan-2-ylmethyl)pyrrolidin-2-yl]-N-methylmethanamine
PubChem CID138056632
Molecular FormulaC15H27FN2O
Molecular Weight270.39 g/mol
Exact Mass270.21
IUPAC Name1-[(2S,4S)-4-fluoro-1-(1-oxaspiro[4.4]nonan-2-ylmethyl)pyrrolidin-2-yl]-N-methylmethanamine
SMILESCNC[C@@H]1C[C@H](F)CN1CC1CCC2(CCCC2)O1
InChIInChI=1S/C15H27FN2O/c1-17-9-13-8-12(16)10-18(13)11-14-4-7-15(19-14)5-2-3-6-15/h12-14,17H,2-11H2,1H3/t12-,13-,14?/m0/s1
InChIKeyHFYJQGYUEIWUDI-RFHHWMCGSA-N
XLogP2.11
TPSA24.50 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500270.39
LogP ≤ 52.11
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 1-[(2S,4S)-4-fluoro-1-(1-oxaspiro[4.4]nonan-2-ylmethyl)pyrrolidin-2-yl]-N-methylmethanamine with MolForge

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Related Compounds

N-methyl-1-(1-oxaspiro[4.4]nonan-2-yl)methanamine
CID 102896520
2-methyl-1-(1-oxaspiro[4.5]decan-2-ylmethyl)piperidin-4-amine
CID 102899492
3,7-dimethyl-1-(1-oxaspiro[4.4]nonan-2-ylmethyl)-1,4-diazepane
CID 102901677
methyl 4-hydroxy-1-(1-oxaspiro[4.5]decan-2-ylmethyl)pyrrolidine-2-carboxylate
CID 154796496
[3-methyl-1-(1-oxaspiro[4.4]nonan-2-ylmethyl)piperidin-2-yl]methanamine
CID 102898456
N-methyl-4-(1-oxaspiro[4.4]nonan-2-yl)butan-1-amine
CID 102901285
[3-methyl-1-(1-oxaspiro[4.5]decan-2-ylmethyl)piperidin-2-yl]methanamine
CID 102898455
2-ethyl-5,5-dimethyl-1-(1-oxaspiro[4.4]nonan-2-ylmethyl)piperazine
CID 102901626
2-[1-(1-oxaspiro[4.4]nonan-2-ylmethyl)piperidin-2-yl]ethanol
CID 102900024
4-methyl-5-(1-oxaspiro[4.5]decan-2-ylmethyl)-2,3,3a,4,6,6a-hexahydro-1H-pyrrolo[3,4-c]pyrrole
CID 102899450
methyl (2R)-1-(1-oxaspiro[4.4]nonan-2-ylmethyl)piperidine-2-carboxylate
CID 102900010
N-methyl-1-[1-(1-oxaspiro[4.4]nonan-2-ylmethyl)pyrrol-2-yl]methanamine
CID 102899593

Frequently Asked Questions

What is the IUPAC name of 1-[(2S,4S)-4-fluoro-1-(1-oxaspiro[4.4]nonan-2-ylmethyl)pyrrolidin-2-yl]-N-methylmethanamine?
The IUPAC name of 1-[(2S,4S)-4-fluoro-1-(1-oxaspiro[4.4]nonan-2-ylmethyl)pyrrolidin-2-yl]-N-methylmethanamine (CID 138056632) is 1-[(2S,4S)-4-fluoro-1-(1-oxaspiro[4.4]nonan-2-ylmethyl)pyrrolidin-2-yl]-N-methylmethanamine.
What is the SMILES notation for 1-[(2S,4S)-4-fluoro-1-(1-oxaspiro[4.4]nonan-2-ylmethyl)pyrrolidin-2-yl]-N-methylmethanamine?
The canonical SMILES for 1-[(2S,4S)-4-fluoro-1-(1-oxaspiro[4.4]nonan-2-ylmethyl)pyrrolidin-2-yl]-N-methylmethanamine is CNC[C@@H]1C[C@H](F)CN1CC1CCC2(CCCC2)O1.
What is the InChIKey of 1-[(2S,4S)-4-fluoro-1-(1-oxaspiro[4.4]nonan-2-ylmethyl)pyrrolidin-2-yl]-N-methylmethanamine?
The InChIKey is HFYJQGYUEIWUDI-RFHHWMCGSA-N. The full InChI is InChI=1S/C15H27FN2O/c1-17-9-13-8-12(16)10-18(13)11-14-4-7-15(19-14)5-2-3-6-15/h12-14,17H,2-11H2,1H3/t12-,13-,14?/m0/s1.
What are the key properties of 1-[(2S,4S)-4-fluoro-1-(1-oxaspiro[4.4]nonan-2-ylmethyl)pyrrolidin-2-yl]-N-methylmethanamine?
1-[(2S,4S)-4-fluoro-1-(1-oxaspiro[4.4]nonan-2-ylmethyl)pyrrolidin-2-yl]-N-methylmethanamine has a molecular weight of 270.39 g/mol, XLogP of 2.11, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(2S,4S)-4-fluoro-1-(1-oxaspiro[4.4]nonan-2-ylmethyl)pyrrolidin-2-yl]-N-methylmethanamine is sourced from PubChem (CID 138056632), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).