6-(6-fluoroquinolin-4-yl)-N-methylbicyclo[3.3.1]nonan-2-amine

C19H23FN2 — CID 153370455

IUPAC6-(6-fluoroquinolin-4-yl)-N-methylbicyclo[3.3.1]nonan-2-amine
SMILESCNC1CCC2CC1CCC2c1ccnc2ccc(F)cc12
InChIInChI=1S/C19H23FN2/c1-21-18-6-3-12-10-13(18)2-5-15(12)16-8-9-22-19-7-4-14(20)11-17(16)19/h4,7-9,11-13,15,18,21H,2-3,5-6,10H2,1H3
InChIKeyJFTSQVUNCQMYFQ-UHFFFAOYSA-N
MW298.40 g/mol
LogP4.26
Rot. Bonds2

About 6-(6-fluoroquinolin-4-yl)-N-methylbicyclo[3.3.1]nonan-2-amine

6-(6-fluoroquinolin-4-yl)-N-methylbicyclo[3.3.1]nonan-2-amine (PubChem CID 153370455) has the molecular formula C19H23FN2 and a molecular weight of 298.40 g/mol. Its IUPAC name is 6-(6-fluoroquinolin-4-yl)-N-methylbicyclo[3.3.1]nonan-2-amine.

Molecular Properties

Compound Name6-(6-fluoroquinolin-4-yl)-N-methylbicyclo[3.3.1]nonan-2-amine
PubChem CID153370455
Molecular FormulaC19H23FN2
Molecular Weight298.40 g/mol
Exact Mass298.18
IUPAC Name6-(6-fluoroquinolin-4-yl)-N-methylbicyclo[3.3.1]nonan-2-amine
SMILESCNC1CCC2CC1CCC2c1ccnc2ccc(F)cc12
InChIInChI=1S/C19H23FN2/c1-21-18-6-3-12-10-13(18)2-5-15(12)16-8-9-22-19-7-4-14(20)11-17(16)19/h4,7-9,11-13,15,18,21H,2-3,5-6,10H2,1H3
InChIKeyJFTSQVUNCQMYFQ-UHFFFAOYSA-N
XLogP4.26
TPSA24.92 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500298.40
LogP ≤ 54.26
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

(1R,2S,5R,6S)-6-(6-fluoroquinolin-4-yl)-N-(4-methylphenyl)bicyclo[3.3.1]nonane-2-carboxamide
CID 160519024
4-(4-cyclopropylcyclohexyl)-6-fluoroquinoline
CID 154996564
4-[4-(2-tert-butylcyclopropyl)cyclohexyl]-6-fluoroquinoline
CID 175384912
N-[(2S)-2-bicyclo[2.2.1]heptanyl]-2-[4-(6-fluoroquinolin-4-yl)cyclohexyl]propanamide
CID 129088674
ethyl 2-[(1R,2S)-2-(6-fluoroquinolin-4-yl)cyclopentyl]-2-oxoacetate
CID 155087986
3-[5-(6-fluoroquinolin-4-yl)-1,2,3,3a,4,5,6,6a-octahydropentalen-2-yl]-N-methylprop-1-en-2-amine
CID 155016751
ethane;[4-(6-fluoroquinolin-4-yl)cyclohexyl]methanamine
CID 142561485
2-[(3aS)-5-(6-fluoroquinolin-4-yl)-1,2,3,3a,4,5,6,6a-octahydropentalen-2-yl]-N-(4-chlorophenyl)propanamide
CID 147503377
methyl 2-[(3aS,6aR)-5-(6-fluoroquinolin-4-yl)-1,2,3,3a,4,5,6,6a-octahydropentalen-2-yl]-2-methylpropanoate
CID 155087696
methyl (2R)-2-[(3aS)-5-(6-fluoroquinolin-4-yl)-1,2,3,3a,4,5,6,6a-octahydropentalen-2-yl]propanoate
CID 155016560
1-tert-butyl-2-[[4-(6-fluoroquinolin-4-yl)cyclohexyl]methyl]hydrazine
CID 175080471
(2R)-1-[4-(6-fluoroquinolin-4-yl)cyclohexyl]propan-2-amine;hydrochloride
CID 168891038

Frequently Asked Questions

What is the IUPAC name of 6-(6-fluoroquinolin-4-yl)-N-methylbicyclo[3.3.1]nonan-2-amine?
The IUPAC name of 6-(6-fluoroquinolin-4-yl)-N-methylbicyclo[3.3.1]nonan-2-amine (CID 153370455) is 6-(6-fluoroquinolin-4-yl)-N-methylbicyclo[3.3.1]nonan-2-amine.
What is the SMILES notation for 6-(6-fluoroquinolin-4-yl)-N-methylbicyclo[3.3.1]nonan-2-amine?
The canonical SMILES for 6-(6-fluoroquinolin-4-yl)-N-methylbicyclo[3.3.1]nonan-2-amine is CNC1CCC2CC1CCC2c1ccnc2ccc(F)cc12.
What is the InChIKey of 6-(6-fluoroquinolin-4-yl)-N-methylbicyclo[3.3.1]nonan-2-amine?
The InChIKey is JFTSQVUNCQMYFQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H23FN2/c1-21-18-6-3-12-10-13(18)2-5-15(12)16-8-9-22-19-7-4-14(20)11-17(16)19/h4,7-9,11-13,15,18,21H,2-3,5-6,10H2,1H3.
What are the key properties of 6-(6-fluoroquinolin-4-yl)-N-methylbicyclo[3.3.1]nonan-2-amine?
6-(6-fluoroquinolin-4-yl)-N-methylbicyclo[3.3.1]nonan-2-amine has a molecular weight of 298.40 g/mol, XLogP of 4.26, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(6-fluoroquinolin-4-yl)-N-methylbicyclo[3.3.1]nonan-2-amine is sourced from PubChem (CID 153370455), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).