2-[1'-(2,2-dimethylpropyl)spiro[2,3-dihydroquinoline-4,4'-piperidine]-1-yl]aniline

C24H33N3 — CID 59337692

IUPAC2-[1'-(2,2-dimethylpropyl)spiro[2,3-dihydroquinoline-4,4'-piperidine]-1-yl]aniline
SMILESCC(C)(C)CN1CCC2(CC1)CCN(c1ccccc1N)c1ccccc12
InChIInChI=1S/C24H33N3/c1-23(2,3)18-26-15-12-24(13-16-26)14-17-27(21-10-6-4-8-19(21)24)22-11-7-5-9-20(22)25/h4-11H,12-18,25H2,1-3H3
InChIKeyZJMAVUDDTPJVLT-UHFFFAOYSA-N
MW363.55 g/mol
LogP5.19
Rot. Bonds2

About 2-[1'-(2,2-dimethylpropyl)spiro[2,3-dihydroquinoline-4,4'-piperidine]-1-yl]aniline

2-[1'-(2,2-dimethylpropyl)spiro[2,3-dihydroquinoline-4,4'-piperidine]-1-yl]aniline (PubChem CID 59337692) has the molecular formula C24H33N3 and a molecular weight of 363.55 g/mol. Its IUPAC name is 2-[1'-(2,2-dimethylpropyl)spiro[2,3-dihydroquinoline-4,4'-piperidine]-1-yl]aniline.

Molecular Properties

Compound Name2-[1'-(2,2-dimethylpropyl)spiro[2,3-dihydroquinoline-4,4'-piperidine]-1-yl]aniline
PubChem CID59337692
Molecular FormulaC24H33N3
Molecular Weight363.55 g/mol
Exact Mass363.27
IUPAC Name2-[1'-(2,2-dimethylpropyl)spiro[2,3-dihydroquinoline-4,4'-piperidine]-1-yl]aniline
SMILESCC(C)(C)CN1CCC2(CC1)CCN(c1ccccc1N)c1ccccc12
InChIInChI=1S/C24H33N3/c1-23(2,3)18-26-15-12-24(13-16-26)14-17-27(21-10-6-4-8-19(21)24)22-11-7-5-9-20(22)25/h4-11H,12-18,25H2,1-3H3
InChIKeyZJMAVUDDTPJVLT-UHFFFAOYSA-N
XLogP5.19
TPSA32.50 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500363.55
LogP ≤ 55.19
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 2-[1'-(2,2-dimethylpropyl)spiro[2,3-dihydroquinoline-4,4'-piperidine]-1-yl]aniline?
The IUPAC name of 2-[1'-(2,2-dimethylpropyl)spiro[2,3-dihydroquinoline-4,4'-piperidine]-1-yl]aniline (CID 59337692) is 2-[1'-(2,2-dimethylpropyl)spiro[2,3-dihydroquinoline-4,4'-piperidine]-1-yl]aniline.
What is the SMILES notation for 2-[1'-(2,2-dimethylpropyl)spiro[2,3-dihydroquinoline-4,4'-piperidine]-1-yl]aniline?
The canonical SMILES for 2-[1'-(2,2-dimethylpropyl)spiro[2,3-dihydroquinoline-4,4'-piperidine]-1-yl]aniline is CC(C)(C)CN1CCC2(CC1)CCN(c1ccccc1N)c1ccccc12.
What is the InChIKey of 2-[1'-(2,2-dimethylpropyl)spiro[2,3-dihydroquinoline-4,4'-piperidine]-1-yl]aniline?
The InChIKey is ZJMAVUDDTPJVLT-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H33N3/c1-23(2,3)18-26-15-12-24(13-16-26)14-17-27(21-10-6-4-8-19(21)24)22-11-7-5-9-20(22)25/h4-11H,12-18,25H2,1-3H3.
What are the key properties of 2-[1'-(2,2-dimethylpropyl)spiro[2,3-dihydroquinoline-4,4'-piperidine]-1-yl]aniline?
2-[1'-(2,2-dimethylpropyl)spiro[2,3-dihydroquinoline-4,4'-piperidine]-1-yl]aniline has a molecular weight of 363.55 g/mol, XLogP of 5.19, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1'-(2,2-dimethylpropyl)spiro[2,3-dihydroquinoline-4,4'-piperidine]-1-yl]aniline is sourced from PubChem (CID 59337692), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).