2-tert-butyl-7-[5-(7-tert-butyl-2,7-diazaspiro[3.4]octan-2-yl)-2,5-dimethylhexan-2-yl]-2,7-diazaspiro[3.5]nonane

C29H56N4 — CID 154980924

IUPAC2-tert-butyl-7-[5-(7-tert-butyl-2,7-diazaspiro[3.4]octan-2-yl)-2,5-dimethylhexan-2-yl]-2,7-diazaspiro[3.5]nonane
SMILESCC(C)(C)N1CC2(CCN(C(C)(C)CCC(C)(C)N3CC4(CCN(C(C)(C)C)C4)C3)CC2)C1
InChIInChI=1S/C29H56N4/c1-24(2,3)31-18-15-29(21-31)22-33(23-29)27(9,10)12-11-26(7,8)30-16-13-28(14-17-30)19-32(20-28)25(4,5)6/h11-23H2,1-10H3
InChIKeyGEAXAAWESGRVMR-UHFFFAOYSA-N
MW460.80 g/mol
LogP5.33
Rot. Bonds5

About 2-tert-butyl-7-[5-(7-tert-butyl-2,7-diazaspiro[3.4]octan-2-yl)-2,5-dimethylhexan-2-yl]-2,7-diazaspiro[3.5]nonane

2-tert-butyl-7-[5-(7-tert-butyl-2,7-diazaspiro[3.4]octan-2-yl)-2,5-dimethylhexan-2-yl]-2,7-diazaspiro[3.5]nonane (PubChem CID 154980924) has the molecular formula C29H56N4 and a molecular weight of 460.80 g/mol. Its IUPAC name is 2-tert-butyl-7-[5-(7-tert-butyl-2,7-diazaspiro[3.4]octan-2-yl)-2,5-dimethylhexan-2-yl]-2,7-diazaspiro[3.5]nonane.

Molecular Properties

Compound Name2-tert-butyl-7-[5-(7-tert-butyl-2,7-diazaspiro[3.4]octan-2-yl)-2,5-dimethylhexan-2-yl]-2,7-diazaspiro[3.5]nonane
PubChem CID154980924
Molecular FormulaC29H56N4
Molecular Weight460.80 g/mol
Exact Mass460.45
IUPAC Name2-tert-butyl-7-[5-(7-tert-butyl-2,7-diazaspiro[3.4]octan-2-yl)-2,5-dimethylhexan-2-yl]-2,7-diazaspiro[3.5]nonane
SMILESCC(C)(C)N1CC2(CCN(C(C)(C)CCC(C)(C)N3CC4(CCN(C(C)(C)C)C4)C3)CC2)C1
InChIInChI=1S/C29H56N4/c1-24(2,3)31-18-15-29(21-31)22-33(23-29)27(9,10)12-11-26(7,8)30-16-13-28(14-17-30)19-32(20-28)25(4,5)6/h11-23H2,1-10H3
InChIKeyGEAXAAWESGRVMR-UHFFFAOYSA-N
XLogP5.33
TPSA12.96 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms33
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500460.80
LogP ≤ 55.33
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-tert-butyl-7-[5-(7-tert-butyl-2,7-diazaspiro[3.4]octan-2-yl)-2,5-dimethylhexan-2-yl]-2,7-diazaspiro[3.5]nonane?
The IUPAC name of 2-tert-butyl-7-[5-(7-tert-butyl-2,7-diazaspiro[3.4]octan-2-yl)-2,5-dimethylhexan-2-yl]-2,7-diazaspiro[3.5]nonane (CID 154980924) is 2-tert-butyl-7-[5-(7-tert-butyl-2,7-diazaspiro[3.4]octan-2-yl)-2,5-dimethylhexan-2-yl]-2,7-diazaspiro[3.5]nonane.
What is the SMILES notation for 2-tert-butyl-7-[5-(7-tert-butyl-2,7-diazaspiro[3.4]octan-2-yl)-2,5-dimethylhexan-2-yl]-2,7-diazaspiro[3.5]nonane?
The canonical SMILES for 2-tert-butyl-7-[5-(7-tert-butyl-2,7-diazaspiro[3.4]octan-2-yl)-2,5-dimethylhexan-2-yl]-2,7-diazaspiro[3.5]nonane is CC(C)(C)N1CC2(CCN(C(C)(C)CCC(C)(C)N3CC4(CCN(C(C)(C)C)C4)C3)CC2)C1.
What is the InChIKey of 2-tert-butyl-7-[5-(7-tert-butyl-2,7-diazaspiro[3.4]octan-2-yl)-2,5-dimethylhexan-2-yl]-2,7-diazaspiro[3.5]nonane?
The InChIKey is GEAXAAWESGRVMR-UHFFFAOYSA-N. The full InChI is InChI=1S/C29H56N4/c1-24(2,3)31-18-15-29(21-31)22-33(23-29)27(9,10)12-11-26(7,8)30-16-13-28(14-17-30)19-32(20-28)25(4,5)6/h11-23H2,1-10H3.
What are the key properties of 2-tert-butyl-7-[5-(7-tert-butyl-2,7-diazaspiro[3.4]octan-2-yl)-2,5-dimethylhexan-2-yl]-2,7-diazaspiro[3.5]nonane?
2-tert-butyl-7-[5-(7-tert-butyl-2,7-diazaspiro[3.4]octan-2-yl)-2,5-dimethylhexan-2-yl]-2,7-diazaspiro[3.5]nonane has a molecular weight of 460.80 g/mol, XLogP of 5.33, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-tert-butyl-7-[5-(7-tert-butyl-2,7-diazaspiro[3.4]octan-2-yl)-2,5-dimethylhexan-2-yl]-2,7-diazaspiro[3.5]nonane is sourced from PubChem (CID 154980924), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).