5-fluoro-2,3,3a,4,9,9a-hexahydro-1H-cyclopenta[b]quinolin-9-amine

C12H15FN2 — CID 115008063

IUPAC5-fluoro-2,3,3a,4,9,9a-hexahydro-1H-cyclopenta[b]quinolin-9-amine
SMILESNC1c2cccc(F)c2NC2CCCC21
InChIInChI=1S/C12H15FN2/c13-9-5-1-4-8-11(14)7-3-2-6-10(7)15-12(8)9/h1,4-5,7,10-11,15H,2-3,6,14H2
InChIKeyBQFOZBDMQQAPFE-UHFFFAOYSA-N
MW206.26 g/mol
LogP2.42
Rot. Bonds

About 5-fluoro-2,3,3a,4,9,9a-hexahydro-1H-cyclopenta[b]quinolin-9-amine

5-fluoro-2,3,3a,4,9,9a-hexahydro-1H-cyclopenta[b]quinolin-9-amine (PubChem CID 115008063) has the molecular formula C12H15FN2 and a molecular weight of 206.26 g/mol. Its IUPAC name is 5-fluoro-2,3,3a,4,9,9a-hexahydro-1H-cyclopenta[b]quinolin-9-amine.

Molecular Properties

Compound Name5-fluoro-2,3,3a,4,9,9a-hexahydro-1H-cyclopenta[b]quinolin-9-amine
PubChem CID115008063
Molecular FormulaC12H15FN2
Molecular Weight206.26 g/mol
Exact Mass206.12
IUPAC Name5-fluoro-2,3,3a,4,9,9a-hexahydro-1H-cyclopenta[b]quinolin-9-amine
SMILESNC1c2cccc(F)c2NC2CCCC21
InChIInChI=1S/C12H15FN2/c13-9-5-1-4-8-11(14)7-3-2-6-10(7)15-12(8)9/h1,4-5,7,10-11,15H,2-3,6,14H2
InChIKeyBQFOZBDMQQAPFE-UHFFFAOYSA-N
XLogP2.42
TPSA38.05 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500206.26
LogP ≤ 52.42
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Analyze 5-fluoro-2,3,3a,4,9,9a-hexahydro-1H-cyclopenta[b]quinolin-9-amine with MolForge

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Launch Full Analysis

Related Compounds

7-fluoro-3-(2-methylcyclopentyl)-2,3-dihydro-1H-indole
CID 106985949
6-fluoro-2-methyl-1,3,4,4a,5,9b-hexahydropyrido[4,3-b]indole
CID 83820061
5-amino-9-fluoro-1,3,4,5-tetrahydro-1-benzazepin-2-one
CID 82401385
5,9-difluoro-2,3,4,5-tetrahydro-1H-1-benzazepine
CID 84718717
2-(2-fluorophenyl)cyclopentan-1-amine
CID 62605662
1-cyclopentyl-2-fluorobenzene
CID 53415938
3-(2-fluorophenyl)cyclohexan-1-amine
CID 64503186
2-cyclohexyl-8-fluoro-1,2,3,4-tetrahydroquinoxaline
CID 112740816
3-amino-8-fluoro-3,4-dihydro-1H-quinolin-2-one
CID 84618485
2-cyclopropyl-6-fluorobenzaldehyde
CID 87091239
3-(cyclopentylmethyl)-7-fluoro-2,3-dihydro-1H-indole
CID 106986001
2,6-di(cyclobutyl)aniline
CID 172550384

Frequently Asked Questions

What is the IUPAC name of 5-fluoro-2,3,3a,4,9,9a-hexahydro-1H-cyclopenta[b]quinolin-9-amine?
The IUPAC name of 5-fluoro-2,3,3a,4,9,9a-hexahydro-1H-cyclopenta[b]quinolin-9-amine (CID 115008063) is 5-fluoro-2,3,3a,4,9,9a-hexahydro-1H-cyclopenta[b]quinolin-9-amine.
What is the SMILES notation for 5-fluoro-2,3,3a,4,9,9a-hexahydro-1H-cyclopenta[b]quinolin-9-amine?
The canonical SMILES for 5-fluoro-2,3,3a,4,9,9a-hexahydro-1H-cyclopenta[b]quinolin-9-amine is NC1c2cccc(F)c2NC2CCCC21.
What is the InChIKey of 5-fluoro-2,3,3a,4,9,9a-hexahydro-1H-cyclopenta[b]quinolin-9-amine?
The InChIKey is BQFOZBDMQQAPFE-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H15FN2/c13-9-5-1-4-8-11(14)7-3-2-6-10(7)15-12(8)9/h1,4-5,7,10-11,15H,2-3,6,14H2.
What are the key properties of 5-fluoro-2,3,3a,4,9,9a-hexahydro-1H-cyclopenta[b]quinolin-9-amine?
5-fluoro-2,3,3a,4,9,9a-hexahydro-1H-cyclopenta[b]quinolin-9-amine has a molecular weight of 206.26 g/mol, XLogP of 2.42, 0 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-fluoro-2,3,3a,4,9,9a-hexahydro-1H-cyclopenta[b]quinolin-9-amine is sourced from PubChem (CID 115008063), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).