5-(6-tert-butyl-2,6-diazaspiro[3.4]octan-3-yl)-2-[2,3-dimethyl-3-(7-methyl-2,7-diazaspiro[3.4]octan-2-yl)butan-2-yl]-2,7-diazaspiro[3.4]octane

C29H54N6 — CID 129149577

IUPAC5-(6-tert-butyl-2,6-diazaspiro[3.4]octan-3-yl)-2-[2,3-dimethyl-3-(7-methyl-2,7-diazaspiro[3.4]octan-2-yl)butan-2-yl]-2,7-diazaspiro[3.4]octane
SMILESCN1CCC2(C1)CN(C(C)(C)C(C)(C)N1CC3(CNCC3C3NCC34CCN(C(C)(C)C)C4)C1)C2
InChIInChI=1S/C29H54N6/c1-24(2,3)33-12-10-28(19-33)15-31-23(28)22-13-30-14-29(22)20-35(21-29)26(6,7)25(4,5)34-17-27(18-34)9-11-32(8)16-27/h22-23,30-31H,9-21H2,1-8H3
InChIKeyXJULBAXLKDOKKR-UHFFFAOYSA-N
MW486.79 g/mol
LogP2.16
Rot. Bonds4

About 5-(6-tert-butyl-2,6-diazaspiro[3.4]octan-3-yl)-2-[2,3-dimethyl-3-(7-methyl-2,7-diazaspiro[3.4]octan-2-yl)butan-2-yl]-2,7-diazaspiro[3.4]octane

5-(6-tert-butyl-2,6-diazaspiro[3.4]octan-3-yl)-2-[2,3-dimethyl-3-(7-methyl-2,7-diazaspiro[3.4]octan-2-yl)butan-2-yl]-2,7-diazaspiro[3.4]octane (PubChem CID 129149577) has the molecular formula C29H54N6 and a molecular weight of 486.79 g/mol. Its IUPAC name is 5-(6-tert-butyl-2,6-diazaspiro[3.4]octan-3-yl)-2-[2,3-dimethyl-3-(7-methyl-2,7-diazaspiro[3.4]octan-2-yl)butan-2-yl]-2,7-diazaspiro[3.4]octane.

Molecular Properties

Compound Name5-(6-tert-butyl-2,6-diazaspiro[3.4]octan-3-yl)-2-[2,3-dimethyl-3-(7-methyl-2,7-diazaspiro[3.4]octan-2-yl)butan-2-yl]-2,7-diazaspiro[3.4]octane
PubChem CID129149577
Molecular FormulaC29H54N6
Molecular Weight486.79 g/mol
Exact Mass486.44
IUPAC Name5-(6-tert-butyl-2,6-diazaspiro[3.4]octan-3-yl)-2-[2,3-dimethyl-3-(7-methyl-2,7-diazaspiro[3.4]octan-2-yl)butan-2-yl]-2,7-diazaspiro[3.4]octane
SMILESCN1CCC2(C1)CN(C(C)(C)C(C)(C)N1CC3(CNCC3C3NCC34CCN(C(C)(C)C)C4)C1)C2
InChIInChI=1S/C29H54N6/c1-24(2,3)33-12-10-28(19-33)15-31-23(28)22-13-30-14-29(22)20-35(21-29)26(6,7)25(4,5)34-17-27(18-34)9-11-32(8)16-27/h22-23,30-31H,9-21H2,1-8H3
InChIKeyXJULBAXLKDOKKR-UHFFFAOYSA-N
XLogP2.16
TPSA37.02 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms35
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500486.79
LogP ≤ 52.16
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Analyze 5-(6-tert-butyl-2,6-diazaspiro[3.4]octan-3-yl)-2-[2,3-dimethyl-3-(7-methyl-2,7-diazaspiro[3.4]octan-2-yl)butan-2-yl]-2,7-diazaspiro[3.4]octane with MolForge

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Frequently Asked Questions

What is the IUPAC name of 5-(6-tert-butyl-2,6-diazaspiro[3.4]octan-3-yl)-2-[2,3-dimethyl-3-(7-methyl-2,7-diazaspiro[3.4]octan-2-yl)butan-2-yl]-2,7-diazaspiro[3.4]octane?
The IUPAC name of 5-(6-tert-butyl-2,6-diazaspiro[3.4]octan-3-yl)-2-[2,3-dimethyl-3-(7-methyl-2,7-diazaspiro[3.4]octan-2-yl)butan-2-yl]-2,7-diazaspiro[3.4]octane (CID 129149577) is 5-(6-tert-butyl-2,6-diazaspiro[3.4]octan-3-yl)-2-[2,3-dimethyl-3-(7-methyl-2,7-diazaspiro[3.4]octan-2-yl)butan-2-yl]-2,7-diazaspiro[3.4]octane.
What is the SMILES notation for 5-(6-tert-butyl-2,6-diazaspiro[3.4]octan-3-yl)-2-[2,3-dimethyl-3-(7-methyl-2,7-diazaspiro[3.4]octan-2-yl)butan-2-yl]-2,7-diazaspiro[3.4]octane?
The canonical SMILES for 5-(6-tert-butyl-2,6-diazaspiro[3.4]octan-3-yl)-2-[2,3-dimethyl-3-(7-methyl-2,7-diazaspiro[3.4]octan-2-yl)butan-2-yl]-2,7-diazaspiro[3.4]octane is CN1CCC2(C1)CN(C(C)(C)C(C)(C)N1CC3(CNCC3C3NCC34CCN(C(C)(C)C)C4)C1)C2.
What is the InChIKey of 5-(6-tert-butyl-2,6-diazaspiro[3.4]octan-3-yl)-2-[2,3-dimethyl-3-(7-methyl-2,7-diazaspiro[3.4]octan-2-yl)butan-2-yl]-2,7-diazaspiro[3.4]octane?
The InChIKey is XJULBAXLKDOKKR-UHFFFAOYSA-N. The full InChI is InChI=1S/C29H54N6/c1-24(2,3)33-12-10-28(19-33)15-31-23(28)22-13-30-14-29(22)20-35(21-29)26(6,7)25(4,5)34-17-27(18-34)9-11-32(8)16-27/h22-23,30-31H,9-21H2,1-8H3.
What are the key properties of 5-(6-tert-butyl-2,6-diazaspiro[3.4]octan-3-yl)-2-[2,3-dimethyl-3-(7-methyl-2,7-diazaspiro[3.4]octan-2-yl)butan-2-yl]-2,7-diazaspiro[3.4]octane?
5-(6-tert-butyl-2,6-diazaspiro[3.4]octan-3-yl)-2-[2,3-dimethyl-3-(7-methyl-2,7-diazaspiro[3.4]octan-2-yl)butan-2-yl]-2,7-diazaspiro[3.4]octane has a molecular weight of 486.79 g/mol, XLogP of 2.16, 4 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(6-tert-butyl-2,6-diazaspiro[3.4]octan-3-yl)-2-[2,3-dimethyl-3-(7-methyl-2,7-diazaspiro[3.4]octan-2-yl)butan-2-yl]-2,7-diazaspiro[3.4]octane is sourced from PubChem (CID 129149577), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).