5,8-ditert-butyl-1'-methylspiro[2,3-dihydro-1H-naphthalene-4,3'-pyrrolidine]

C22H35N — CID 118314320

IUPAC5,8-ditert-butyl-1'-methylspiro[2,3-dihydro-1H-naphthalene-4,3'-pyrrolidine]
SMILESCN1CCC2(CCCc3c(C(C)(C)C)ccc(C(C)(C)C)c32)C1
InChIInChI=1S/C22H35N/c1-20(2,3)17-10-11-18(21(4,5)6)19-16(17)9-8-12-22(19)13-14-23(7)15-22/h10-11H,8-9,12-15H2,1-7H3
InChIKeyCPGFBDGMKOGITK-UHFFFAOYSA-N
MW313.53 g/mol
LogP5.19
Rot. Bonds

About 5,8-ditert-butyl-1'-methylspiro[2,3-dihydro-1H-naphthalene-4,3'-pyrrolidine]

5,8-ditert-butyl-1'-methylspiro[2,3-dihydro-1H-naphthalene-4,3'-pyrrolidine] (PubChem CID 118314320) has the molecular formula C22H35N and a molecular weight of 313.53 g/mol. Its IUPAC name is 5,8-ditert-butyl-1'-methylspiro[2,3-dihydro-1H-naphthalene-4,3'-pyrrolidine].

Molecular Properties

Compound Name5,8-ditert-butyl-1'-methylspiro[2,3-dihydro-1H-naphthalene-4,3'-pyrrolidine]
PubChem CID118314320
Molecular FormulaC22H35N
Molecular Weight313.53 g/mol
Exact Mass313.28
IUPAC Name5,8-ditert-butyl-1'-methylspiro[2,3-dihydro-1H-naphthalene-4,3'-pyrrolidine]
SMILESCN1CCC2(CCCc3c(C(C)(C)C)ccc(C(C)(C)C)c32)C1
InChIInChI=1S/C22H35N/c1-20(2,3)17-10-11-18(21(4,5)6)19-16(17)9-8-12-22(19)13-14-23(7)15-22/h10-11H,8-9,12-15H2,1-7H3
InChIKeyCPGFBDGMKOGITK-UHFFFAOYSA-N
XLogP5.19
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms23
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500313.53
LogP ≤ 55.19
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 5,8-ditert-butyl-1'-methylspiro[2,3-dihydro-1H-naphthalene-4,3'-pyrrolidine]?
The IUPAC name of 5,8-ditert-butyl-1'-methylspiro[2,3-dihydro-1H-naphthalene-4,3'-pyrrolidine] (CID 118314320) is 5,8-ditert-butyl-1'-methylspiro[2,3-dihydro-1H-naphthalene-4,3'-pyrrolidine].
What is the SMILES notation for 5,8-ditert-butyl-1'-methylspiro[2,3-dihydro-1H-naphthalene-4,3'-pyrrolidine]?
The canonical SMILES for 5,8-ditert-butyl-1'-methylspiro[2,3-dihydro-1H-naphthalene-4,3'-pyrrolidine] is CN1CCC2(CCCc3c(C(C)(C)C)ccc(C(C)(C)C)c32)C1.
What is the InChIKey of 5,8-ditert-butyl-1'-methylspiro[2,3-dihydro-1H-naphthalene-4,3'-pyrrolidine]?
The InChIKey is CPGFBDGMKOGITK-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H35N/c1-20(2,3)17-10-11-18(21(4,5)6)19-16(17)9-8-12-22(19)13-14-23(7)15-22/h10-11H,8-9,12-15H2,1-7H3.
What are the key properties of 5,8-ditert-butyl-1'-methylspiro[2,3-dihydro-1H-naphthalene-4,3'-pyrrolidine]?
5,8-ditert-butyl-1'-methylspiro[2,3-dihydro-1H-naphthalene-4,3'-pyrrolidine] has a molecular weight of 313.53 g/mol, XLogP of 5.19, 0 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 5,8-ditert-butyl-1'-methylspiro[2,3-dihydro-1H-naphthalene-4,3'-pyrrolidine] is sourced from PubChem (CID 118314320), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).