(2S)-5-fluoro-2,9-dimethyl-4-propyl-3,4,5,6,7,8-hexahydro-2H-azonine

C13H24FN — CID 138749750

IUPAC(2S)-5-fluoro-2,9-dimethyl-4-propyl-3,4,5,6,7,8-hexahydro-2H-azonine
SMILESCCCC1C[C@H](C)/N=C(/C)CCCC1F
InChIInChI=1S/C13H24FN/c1-4-6-12-9-11(3)15-10(2)7-5-8-13(12)14/h11-13H,4-9H2,1-3H3/b15-10-/t11-,12?,13?/m0/s1
InChIKeyHMZCLGUMPAZBAE-OBALRMEDSA-N
MW213.34 g/mol
LogP4.16
Rot. Bonds2

About (2S)-5-fluoro-2,9-dimethyl-4-propyl-3,4,5,6,7,8-hexahydro-2H-azonine

(2S)-5-fluoro-2,9-dimethyl-4-propyl-3,4,5,6,7,8-hexahydro-2H-azonine (PubChem CID 138749750) has the molecular formula C13H24FN and a molecular weight of 213.34 g/mol. Its IUPAC name is (2S)-5-fluoro-2,9-dimethyl-4-propyl-3,4,5,6,7,8-hexahydro-2H-azonine.

Molecular Properties

Compound Name(2S)-5-fluoro-2,9-dimethyl-4-propyl-3,4,5,6,7,8-hexahydro-2H-azonine
PubChem CID138749750
Molecular FormulaC13H24FN
Molecular Weight213.34 g/mol
Exact Mass213.19
IUPAC Name(2S)-5-fluoro-2,9-dimethyl-4-propyl-3,4,5,6,7,8-hexahydro-2H-azonine
SMILESCCCC1C[C@H](C)/N=C(/C)CCCC1F
InChIInChI=1S/C13H24FN/c1-4-6-12-9-11(3)15-10(2)7-5-8-13(12)14/h11-13H,4-9H2,1-3H3/b15-10-/t11-,12?,13?/m0/s1
InChIKeyHMZCLGUMPAZBAE-OBALRMEDSA-N
XLogP4.16
TPSA12.36 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500213.34
LogP ≤ 54.16
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of (2S)-5-fluoro-2,9-dimethyl-4-propyl-3,4,5,6,7,8-hexahydro-2H-azonine?
The IUPAC name of (2S)-5-fluoro-2,9-dimethyl-4-propyl-3,4,5,6,7,8-hexahydro-2H-azonine (CID 138749750) is (2S)-5-fluoro-2,9-dimethyl-4-propyl-3,4,5,6,7,8-hexahydro-2H-azonine.
What is the SMILES notation for (2S)-5-fluoro-2,9-dimethyl-4-propyl-3,4,5,6,7,8-hexahydro-2H-azonine?
The canonical SMILES for (2S)-5-fluoro-2,9-dimethyl-4-propyl-3,4,5,6,7,8-hexahydro-2H-azonine is CCCC1C[C@H](C)/N=C(/C)CCCC1F.
What is the InChIKey of (2S)-5-fluoro-2,9-dimethyl-4-propyl-3,4,5,6,7,8-hexahydro-2H-azonine?
The InChIKey is HMZCLGUMPAZBAE-OBALRMEDSA-N. The full InChI is InChI=1S/C13H24FN/c1-4-6-12-9-11(3)15-10(2)7-5-8-13(12)14/h11-13H,4-9H2,1-3H3/b15-10-/t11-,12?,13?/m0/s1.
What are the key properties of (2S)-5-fluoro-2,9-dimethyl-4-propyl-3,4,5,6,7,8-hexahydro-2H-azonine?
(2S)-5-fluoro-2,9-dimethyl-4-propyl-3,4,5,6,7,8-hexahydro-2H-azonine has a molecular weight of 213.34 g/mol, XLogP of 4.16, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-5-fluoro-2,9-dimethyl-4-propyl-3,4,5,6,7,8-hexahydro-2H-azonine is sourced from PubChem (CID 138749750), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).