3-fluoro-3-quinolin-8-ylcyclobutan-1-amine

C13H13FN2 — CID 112564127

IUPAC3-fluoro-3-quinolin-8-ylcyclobutan-1-amine
SMILESNC1CC(F)(c2cccc3cccnc23)C1
InChIInChI=1S/C13H13FN2/c14-13(7-10(15)8-13)11-5-1-3-9-4-2-6-16-12(9)11/h1-6,10H,7-8,15H2
InChIKeyPVXKHHKZRFMUKP-UHFFFAOYSA-N
MW216.26 g/mol
LogP2.52
Rot. Bonds1

About 3-fluoro-3-quinolin-8-ylcyclobutan-1-amine

3-fluoro-3-quinolin-8-ylcyclobutan-1-amine (PubChem CID 112564127) has the molecular formula C13H13FN2 and a molecular weight of 216.26 g/mol. Its IUPAC name is 3-fluoro-3-quinolin-8-ylcyclobutan-1-amine.

Molecular Properties

Compound Name3-fluoro-3-quinolin-8-ylcyclobutan-1-amine
PubChem CID112564127
Molecular FormulaC13H13FN2
Molecular Weight216.26 g/mol
Exact Mass216.11
IUPAC Name3-fluoro-3-quinolin-8-ylcyclobutan-1-amine
SMILESNC1CC(F)(c2cccc3cccnc23)C1
InChIInChI=1S/C13H13FN2/c14-13(7-10(15)8-13)11-5-1-3-9-4-2-6-16-12(9)11/h1-6,10H,7-8,15H2
InChIKeyPVXKHHKZRFMUKP-UHFFFAOYSA-N
XLogP2.52
TPSA38.91 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500216.26
LogP ≤ 52.52
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1,2-di(quinolin-8-yl)cyclohexane-1,2-diamine
CID 175907470
1-quinolin-8-ylcycloheptan-1-amine
CID 81216592
3-ethyl-1-quinolin-8-ylcyclohexan-1-amine
CID 81216378
3,3,5,5-tetramethyl-1-quinolin-8-ylcyclohexan-1-amine
CID 103961166
3,3-dimethyl-1-quinolin-8-ylcyclopentan-1-amine
CID 81216679
ethane;quinolin-8-amine
CID 91158659
1-quinolin-8-ylpiperidin-4-amine
CID 81224219
8-[1-(methoxymethyl)cyclopropyl]quinoline
CID 141434514
1,3,3-trimethyl-2-quinolin-8-ylbicyclo[2.2.1]heptan-2-ol
CID 115401286
cyclohexane-1,3,5-triamine;methylsulfinylmethane;1,10-phenanthroline;ruthenium(2+);dichloride
CID 71532930
gallium tris(quinoline-8-thiolate)
CID 22102089
8-cyclopropylquinoline
CID 66823369

Frequently Asked Questions

What is the IUPAC name of 3-fluoro-3-quinolin-8-ylcyclobutan-1-amine?
The IUPAC name of 3-fluoro-3-quinolin-8-ylcyclobutan-1-amine (CID 112564127) is 3-fluoro-3-quinolin-8-ylcyclobutan-1-amine.
What is the SMILES notation for 3-fluoro-3-quinolin-8-ylcyclobutan-1-amine?
The canonical SMILES for 3-fluoro-3-quinolin-8-ylcyclobutan-1-amine is NC1CC(F)(c2cccc3cccnc23)C1.
What is the InChIKey of 3-fluoro-3-quinolin-8-ylcyclobutan-1-amine?
The InChIKey is PVXKHHKZRFMUKP-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H13FN2/c14-13(7-10(15)8-13)11-5-1-3-9-4-2-6-16-12(9)11/h1-6,10H,7-8,15H2.
What are the key properties of 3-fluoro-3-quinolin-8-ylcyclobutan-1-amine?
3-fluoro-3-quinolin-8-ylcyclobutan-1-amine has a molecular weight of 216.26 g/mol, XLogP of 2.52, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-fluoro-3-quinolin-8-ylcyclobutan-1-amine is sourced from PubChem (CID 112564127), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).