N-cyclobutyl-1-[2-(3-fluorophenyl)spiro[2,3-dihydro-1H-quinoline-4,1'-cyclopentane]-6-yl]propan-1-imine

C26H31FN2 — CID 123658867

IUPACN-cyclobutyl-1-[2-(3-fluorophenyl)spiro[2,3-dihydro-1H-quinoline-4,1'-cyclopentane]-6-yl]propan-1-imine
SMILESCC/C(=N\C1CCC1)c1ccc2c(c1)C1(CCCC1)CC(c1cccc(F)c1)N2
InChIInChI=1S/C26H31FN2/c1-2-23(28-21-9-6-10-21)19-11-12-24-22(16-19)26(13-3-4-14-26)17-25(29-24)18-7-5-8-20(27)15-18/h5,7-8,11-12,15-16,21,25,29H,2-4,6,9-10,13-14,17H2,1H3/b28-23+
InChIKeyVMKBSHFBPALMDA-WEMUOSSPSA-N
MW390.55 g/mol
LogP6.95
Rot. Bonds4

About N-cyclobutyl-1-[2-(3-fluorophenyl)spiro[2,3-dihydro-1H-quinoline-4,1'-cyclopentane]-6-yl]propan-1-imine

N-cyclobutyl-1-[2-(3-fluorophenyl)spiro[2,3-dihydro-1H-quinoline-4,1'-cyclopentane]-6-yl]propan-1-imine (PubChem CID 123658867) has the molecular formula C26H31FN2 and a molecular weight of 390.55 g/mol. Its IUPAC name is N-cyclobutyl-1-[2-(3-fluorophenyl)spiro[2,3-dihydro-1H-quinoline-4,1'-cyclopentane]-6-yl]propan-1-imine.

Molecular Properties

Compound NameN-cyclobutyl-1-[2-(3-fluorophenyl)spiro[2,3-dihydro-1H-quinoline-4,1'-cyclopentane]-6-yl]propan-1-imine
PubChem CID123658867
Molecular FormulaC26H31FN2
Molecular Weight390.55 g/mol
Exact Mass390.25
IUPAC NameN-cyclobutyl-1-[2-(3-fluorophenyl)spiro[2,3-dihydro-1H-quinoline-4,1'-cyclopentane]-6-yl]propan-1-imine
SMILESCC/C(=N\C1CCC1)c1ccc2c(c1)C1(CCCC1)CC(c1cccc(F)c1)N2
InChIInChI=1S/C26H31FN2/c1-2-23(28-21-9-6-10-21)19-11-12-24-22(16-19)26(13-3-4-14-26)17-25(29-24)18-7-5-8-20(27)15-18/h5,7-8,11-12,15-16,21,25,29H,2-4,6,9-10,13-14,17H2,1H3/b28-23+
InChIKeyVMKBSHFBPALMDA-WEMUOSSPSA-N
XLogP6.95
TPSA24.39 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500390.55
LogP ≤ 56.95
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}

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Related Compounds

1,3,3-trimethyl-2-[(E)-2-(4-piperazin-1-ylphenyl)ethenyl]indol-1-ium iodide
CID 155568699
4,6-Dimethyl-2-phenyl-1,2,3,4-tetrahydroquinoline
CID 478557
(2R,4S)-2,6-dimethyl-N-(p-tolyl)-1,2,3,4-tetrahydroquinolin-4-amine
CID 1133340
4-(8-methyl-3a,4,5,9b-tetrahydro-3H-cyclopenta[c]quinolin-4-yl)-N-[(E)-phenylmethylidene]aniline
CID 3468086
(4R)-2,6-dimethyl-N-(4-methylphenyl)-1,2,3,4-tetrahydroquinolin-4-amine
CID 16465356
6-(3-fluorophenyl)-2,4,4-trimethyl-2,3-dihydro-1H-quinoline
CID 9878537
N-[2-(benzenecarboximidoyl)-4-fluorophenyl]-1-methylpiperidin-4-amine
CID 13431727
N-[4-fluoro-2-(2-fluorobenzenecarboximidoyl)phenyl]-1-methylpiperidin-4-amine
CID 13431728
8-fluoro-4-(3-methylphenyl)-3a,4,5,9b-tetrahydro-3H-cyclopenta[c]quinoline
CID 17242005
[7-ethyl-5-(2-fluorophenyl)-2,3-dihydro-1H-1,4-benzodiazepin-2-yl]methanamine
CID 20464501
3-fluoro-5-(2,4,4-trimethyl-2,3-dihydro-1H-quinolin-6-yl)benzonitrile
CID 23435604
3-(4-Fluorophenyl)-6-methyl-1,2,3,4-tetrahydroquinoline
CID 24267039

Frequently Asked Questions

What is the IUPAC name of N-cyclobutyl-1-[2-(3-fluorophenyl)spiro[2,3-dihydro-1H-quinoline-4,1'-cyclopentane]-6-yl]propan-1-imine?
The IUPAC name of N-cyclobutyl-1-[2-(3-fluorophenyl)spiro[2,3-dihydro-1H-quinoline-4,1'-cyclopentane]-6-yl]propan-1-imine (CID 123658867) is N-cyclobutyl-1-[2-(3-fluorophenyl)spiro[2,3-dihydro-1H-quinoline-4,1'-cyclopentane]-6-yl]propan-1-imine.
What is the SMILES notation for N-cyclobutyl-1-[2-(3-fluorophenyl)spiro[2,3-dihydro-1H-quinoline-4,1'-cyclopentane]-6-yl]propan-1-imine?
The canonical SMILES for N-cyclobutyl-1-[2-(3-fluorophenyl)spiro[2,3-dihydro-1H-quinoline-4,1'-cyclopentane]-6-yl]propan-1-imine is CC/C(=N\C1CCC1)c1ccc2c(c1)C1(CCCC1)CC(c1cccc(F)c1)N2.
What is the InChIKey of N-cyclobutyl-1-[2-(3-fluorophenyl)spiro[2,3-dihydro-1H-quinoline-4,1'-cyclopentane]-6-yl]propan-1-imine?
The InChIKey is VMKBSHFBPALMDA-WEMUOSSPSA-N. The full InChI is InChI=1S/C26H31FN2/c1-2-23(28-21-9-6-10-21)19-11-12-24-22(16-19)26(13-3-4-14-26)17-25(29-24)18-7-5-8-20(27)15-18/h5,7-8,11-12,15-16,21,25,29H,2-4,6,9-10,13-14,17H2,1H3/b28-23+.
What are the key properties of N-cyclobutyl-1-[2-(3-fluorophenyl)spiro[2,3-dihydro-1H-quinoline-4,1'-cyclopentane]-6-yl]propan-1-imine?
N-cyclobutyl-1-[2-(3-fluorophenyl)spiro[2,3-dihydro-1H-quinoline-4,1'-cyclopentane]-6-yl]propan-1-imine has a molecular weight of 390.55 g/mol, XLogP of 6.95, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-cyclobutyl-1-[2-(3-fluorophenyl)spiro[2,3-dihydro-1H-quinoline-4,1'-cyclopentane]-6-yl]propan-1-imine is sourced from PubChem (CID 123658867), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).