1-(5-fluoro-3,6-dihydro-2H-pyridin-1-yl)-2-methyl-2-(methylamino)propan-1-one

C10H17FN2O — CID 130965281

IUPAC1-(5-fluoro-3,6-dihydro-2H-pyridin-1-yl)-2-methyl-2-(methylamino)propan-1-one
SMILESCNC(C)(C)C(=O)N1CCC=C(F)C1
InChIInChI=1S/C10H17FN2O/c1-10(2,12-3)9(14)13-6-4-5-8(11)7-13/h5,12H,4,6-7H2,1-3H3
InChIKeyAVAVMZVBYOCPDN-UHFFFAOYSA-N
MW200.26 g/mol
LogP1.07
Rot. Bonds2

About 1-(5-fluoro-3,6-dihydro-2H-pyridin-1-yl)-2-methyl-2-(methylamino)propan-1-one

1-(5-fluoro-3,6-dihydro-2H-pyridin-1-yl)-2-methyl-2-(methylamino)propan-1-one (PubChem CID 130965281) has the molecular formula C10H17FN2O and a molecular weight of 200.26 g/mol. Its IUPAC name is 1-(5-fluoro-3,6-dihydro-2H-pyridin-1-yl)-2-methyl-2-(methylamino)propan-1-one.

Molecular Properties

Compound Name1-(5-fluoro-3,6-dihydro-2H-pyridin-1-yl)-2-methyl-2-(methylamino)propan-1-one
PubChem CID130965281
Molecular FormulaC10H17FN2O
Molecular Weight200.26 g/mol
Exact Mass200.13
IUPAC Name1-(5-fluoro-3,6-dihydro-2H-pyridin-1-yl)-2-methyl-2-(methylamino)propan-1-one
SMILESCNC(C)(C)C(=O)N1CCC=C(F)C1
InChIInChI=1S/C10H17FN2O/c1-10(2,12-3)9(14)13-6-4-5-8(11)7-13/h5,12H,4,6-7H2,1-3H3
InChIKeyAVAVMZVBYOCPDN-UHFFFAOYSA-N
XLogP1.07
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500200.26
LogP ≤ 51.07
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-methyl-2-[4-(trifluoromethyl)-1,2,3,6-tetrahydropyridin-1-yl]acetamide
CID 126772187
2-[[(Z)-1,1,1-trifluoro-2,3-dimethylhex-3-en-2-yl]amino]-N-(2,2,2-trifluoroethyl)acetamide
CID 169613634
(3R,9S,12R,13Z,15S)-14-fluoro-3,9,12,15-tetramethyl-1,4,7,10-tetrazacyclopentadec-13-ene-2,5,8,11-tetrone
CID 46191522
(2R)-2-amino-1-[4-(trifluoromethyl)-3,6-dihydro-2H-pyridin-1-yl]propan-1-one
CID 104930308
(2S)-2-amino-3-methyl-N-[2-oxo-2-[4-(trifluoromethyl)-3,6-dihydro-2H-pyridin-1-yl]ethyl]butanamide
CID 104930314
(2S)-2-amino-1-[4-(trifluoromethyl)-3,6-dihydro-2H-pyridin-1-yl]propan-1-one
CID 104930315
1-(5-methyl-3,6-dihydro-2H-pyridin-1-yl)-2-(2,2,2-trifluoroethylamino)ethanone
CID 106313666
2-amino-3,3,3-trifluoro-2-methyl-1-(5-methyl-3,6-dihydro-2H-pyridin-1-yl)propan-1-one
CID 106313744
N-(2-aminoethyl)-2-[4-(trifluoromethyl)-3,6-dihydro-2H-pyridin-1-yl]acetamide
CID 113591607
2-(ethylamino)-2-methyl-1-[4-(trifluoromethyl)-3,6-dihydro-2H-pyridin-1-yl]propan-1-one
CID 113591620
2-(propan-2-ylamino)-1-[4-(trifluoromethyl)-3,6-dihydro-2H-pyridin-1-yl]ethanone
CID 113591633
2-amino-1-(3,6-dihydro-2H-pyridin-1-yl)-3,3,3-trifluoro-2-methylpropan-1-one
CID 114408951

Frequently Asked Questions

What is the IUPAC name of 1-(5-fluoro-3,6-dihydro-2H-pyridin-1-yl)-2-methyl-2-(methylamino)propan-1-one?
The IUPAC name of 1-(5-fluoro-3,6-dihydro-2H-pyridin-1-yl)-2-methyl-2-(methylamino)propan-1-one (CID 130965281) is 1-(5-fluoro-3,6-dihydro-2H-pyridin-1-yl)-2-methyl-2-(methylamino)propan-1-one.
What is the SMILES notation for 1-(5-fluoro-3,6-dihydro-2H-pyridin-1-yl)-2-methyl-2-(methylamino)propan-1-one?
The canonical SMILES for 1-(5-fluoro-3,6-dihydro-2H-pyridin-1-yl)-2-methyl-2-(methylamino)propan-1-one is CNC(C)(C)C(=O)N1CCC=C(F)C1.
What is the InChIKey of 1-(5-fluoro-3,6-dihydro-2H-pyridin-1-yl)-2-methyl-2-(methylamino)propan-1-one?
The InChIKey is AVAVMZVBYOCPDN-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H17FN2O/c1-10(2,12-3)9(14)13-6-4-5-8(11)7-13/h5,12H,4,6-7H2,1-3H3.
What are the key properties of 1-(5-fluoro-3,6-dihydro-2H-pyridin-1-yl)-2-methyl-2-(methylamino)propan-1-one?
1-(5-fluoro-3,6-dihydro-2H-pyridin-1-yl)-2-methyl-2-(methylamino)propan-1-one has a molecular weight of 200.26 g/mol, XLogP of 1.07, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(5-fluoro-3,6-dihydro-2H-pyridin-1-yl)-2-methyl-2-(methylamino)propan-1-one is sourced from PubChem (CID 130965281), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).