tert-butyl 8-[6-(5,5,8,8-tetramethyl-6,7-dihydronaphthalen-2-yl)-2-pyridinyl]-2,8-diazaspiro[4.5]decane-2-carboxylate

C32H45N3O2 — CID 67609315

IUPACtert-butyl 8-[6-(5,5,8,8-tetramethyl-6,7-dihydronaphthalen-2-yl)-2-pyridinyl]-2,8-diazaspiro[4.5]decane-2-carboxylate
SMILESCC(C)(C)OC(=O)N1CCC2(CCN(c3cccc(-c4ccc5c(c4)C(C)(C)CCC5(C)C)n3)CC2)C1
InChIInChI=1S/C32H45N3O2/c1-29(2,3)37-28(36)35-20-17-32(22-35)15-18-34(19-16-32)27-10-8-9-26(33-27)23-11-12-24-25(21-23)31(6,7)14-13-30(24,4)5/h8-12,21H,13-20,22H2,1-7H3
InChIKeyKCRALAGCNGOPJM-UHFFFAOYSA-N
MW503.73 g/mol
LogP7.32
Rot. Bonds2

About tert-butyl 8-[6-(5,5,8,8-tetramethyl-6,7-dihydronaphthalen-2-yl)-2-pyridinyl]-2,8-diazaspiro[4.5]decane-2-carboxylate

tert-butyl 8-[6-(5,5,8,8-tetramethyl-6,7-dihydronaphthalen-2-yl)-2-pyridinyl]-2,8-diazaspiro[4.5]decane-2-carboxylate (PubChem CID 67609315) has the molecular formula C32H45N3O2 and a molecular weight of 503.73 g/mol. Its IUPAC name is tert-butyl 8-[6-(5,5,8,8-tetramethyl-6,7-dihydronaphthalen-2-yl)-2-pyridinyl]-2,8-diazaspiro[4.5]decane-2-carboxylate.

Molecular Properties

Compound Nametert-butyl 8-[6-(5,5,8,8-tetramethyl-6,7-dihydronaphthalen-2-yl)-2-pyridinyl]-2,8-diazaspiro[4.5]decane-2-carboxylate
PubChem CID67609315
Molecular FormulaC32H45N3O2
Molecular Weight503.73 g/mol
Exact Mass503.35
IUPAC Nametert-butyl 8-[6-(5,5,8,8-tetramethyl-6,7-dihydronaphthalen-2-yl)-2-pyridinyl]-2,8-diazaspiro[4.5]decane-2-carboxylate
SMILESCC(C)(C)OC(=O)N1CCC2(CCN(c3cccc(-c4ccc5c(c4)C(C)(C)CCC5(C)C)n3)CC2)C1
InChIInChI=1S/C32H45N3O2/c1-29(2,3)37-28(36)35-20-17-32(22-35)15-18-34(19-16-32)27-10-8-9-26(33-27)23-11-12-24-25(21-23)31(6,7)14-13-30(24,4)5/h8-12,21H,13-20,22H2,1-7H3
InChIKeyKCRALAGCNGOPJM-UHFFFAOYSA-N
XLogP7.32
TPSA45.67 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms37
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500503.73
LogP ≤ 57.32
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of tert-butyl 8-[6-(5,5,8,8-tetramethyl-6,7-dihydronaphthalen-2-yl)-2-pyridinyl]-2,8-diazaspiro[4.5]decane-2-carboxylate?
The IUPAC name of tert-butyl 8-[6-(5,5,8,8-tetramethyl-6,7-dihydronaphthalen-2-yl)-2-pyridinyl]-2,8-diazaspiro[4.5]decane-2-carboxylate (CID 67609315) is tert-butyl 8-[6-(5,5,8,8-tetramethyl-6,7-dihydronaphthalen-2-yl)-2-pyridinyl]-2,8-diazaspiro[4.5]decane-2-carboxylate.
What is the SMILES notation for tert-butyl 8-[6-(5,5,8,8-tetramethyl-6,7-dihydronaphthalen-2-yl)-2-pyridinyl]-2,8-diazaspiro[4.5]decane-2-carboxylate?
The canonical SMILES for tert-butyl 8-[6-(5,5,8,8-tetramethyl-6,7-dihydronaphthalen-2-yl)-2-pyridinyl]-2,8-diazaspiro[4.5]decane-2-carboxylate is CC(C)(C)OC(=O)N1CCC2(CCN(c3cccc(-c4ccc5c(c4)C(C)(C)CCC5(C)C)n3)CC2)C1.
What is the InChIKey of tert-butyl 8-[6-(5,5,8,8-tetramethyl-6,7-dihydronaphthalen-2-yl)-2-pyridinyl]-2,8-diazaspiro[4.5]decane-2-carboxylate?
The InChIKey is KCRALAGCNGOPJM-UHFFFAOYSA-N. The full InChI is InChI=1S/C32H45N3O2/c1-29(2,3)37-28(36)35-20-17-32(22-35)15-18-34(19-16-32)27-10-8-9-26(33-27)23-11-12-24-25(21-23)31(6,7)14-13-30(24,4)5/h8-12,21H,13-20,22H2,1-7H3.
What are the key properties of tert-butyl 8-[6-(5,5,8,8-tetramethyl-6,7-dihydronaphthalen-2-yl)-2-pyridinyl]-2,8-diazaspiro[4.5]decane-2-carboxylate?
tert-butyl 8-[6-(5,5,8,8-tetramethyl-6,7-dihydronaphthalen-2-yl)-2-pyridinyl]-2,8-diazaspiro[4.5]decane-2-carboxylate has a molecular weight of 503.73 g/mol, XLogP of 7.32, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl 8-[6-(5,5,8,8-tetramethyl-6,7-dihydronaphthalen-2-yl)-2-pyridinyl]-2,8-diazaspiro[4.5]decane-2-carboxylate is sourced from PubChem (CID 67609315), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).