1-tert-butyl-1'-ethylspiro[2,3-dihydroquinoline-4,4'-piperidine]

C19H30N2 — CID 59337719

IUPAC1-tert-butyl-1'-ethylspiro[2,3-dihydroquinoline-4,4'-piperidine]
SMILESCCN1CCC2(CC1)CCN(C(C)(C)C)c1ccccc12
InChIInChI=1S/C19H30N2/c1-5-20-13-10-19(11-14-20)12-15-21(18(2,3)4)17-9-7-6-8-16(17)19/h6-9H,5,10-15H2,1-4H3
InChIKeyRASAAZCWQFFIQL-UHFFFAOYSA-N
MW286.46 g/mol
LogP4.05
Rot. Bonds1

About 1-tert-butyl-1'-ethylspiro[2,3-dihydroquinoline-4,4'-piperidine]

1-tert-butyl-1'-ethylspiro[2,3-dihydroquinoline-4,4'-piperidine] (PubChem CID 59337719) has the molecular formula C19H30N2 and a molecular weight of 286.46 g/mol. Its IUPAC name is 1-tert-butyl-1'-ethylspiro[2,3-dihydroquinoline-4,4'-piperidine].

Molecular Properties

Compound Name1-tert-butyl-1'-ethylspiro[2,3-dihydroquinoline-4,4'-piperidine]
PubChem CID59337719
Molecular FormulaC19H30N2
Molecular Weight286.46 g/mol
Exact Mass286.24
IUPAC Name1-tert-butyl-1'-ethylspiro[2,3-dihydroquinoline-4,4'-piperidine]
SMILESCCN1CCC2(CC1)CCN(C(C)(C)C)c1ccccc12
InChIInChI=1S/C19H30N2/c1-5-20-13-10-19(11-14-20)12-15-21(18(2,3)4)17-9-7-6-8-16(17)19/h6-9H,5,10-15H2,1-4H3
InChIKeyRASAAZCWQFFIQL-UHFFFAOYSA-N
XLogP4.05
TPSA6.48 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500286.46
LogP ≤ 54.05
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1-tert-butyl-1'-ethylspiro[2,3-dihydroquinoline-4,4'-piperidine]?
The IUPAC name of 1-tert-butyl-1'-ethylspiro[2,3-dihydroquinoline-4,4'-piperidine] (CID 59337719) is 1-tert-butyl-1'-ethylspiro[2,3-dihydroquinoline-4,4'-piperidine].
What is the SMILES notation for 1-tert-butyl-1'-ethylspiro[2,3-dihydroquinoline-4,4'-piperidine]?
The canonical SMILES for 1-tert-butyl-1'-ethylspiro[2,3-dihydroquinoline-4,4'-piperidine] is CCN1CCC2(CC1)CCN(C(C)(C)C)c1ccccc12.
What is the InChIKey of 1-tert-butyl-1'-ethylspiro[2,3-dihydroquinoline-4,4'-piperidine]?
The InChIKey is RASAAZCWQFFIQL-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H30N2/c1-5-20-13-10-19(11-14-20)12-15-21(18(2,3)4)17-9-7-6-8-16(17)19/h6-9H,5,10-15H2,1-4H3.
What are the key properties of 1-tert-butyl-1'-ethylspiro[2,3-dihydroquinoline-4,4'-piperidine]?
1-tert-butyl-1'-ethylspiro[2,3-dihydroquinoline-4,4'-piperidine] has a molecular weight of 286.46 g/mol, XLogP of 4.05, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-tert-butyl-1'-ethylspiro[2,3-dihydroquinoline-4,4'-piperidine] is sourced from PubChem (CID 59337719), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).