2-tert-butyl-7-[5-(2-tert-butyl-2-azaspiro[3.5]nonan-7-yl)-2,5-dimethylhexan-2-yl]-7-azaspiro[3.5]nonane

C32H60N2 — CID 170068685

IUPAC2-tert-butyl-7-[5-(2-tert-butyl-2-azaspiro[3.5]nonan-7-yl)-2,5-dimethylhexan-2-yl]-7-azaspiro[3.5]nonane
SMILESCC(C)(C)C1CC2(CCN(C(C)(C)CCC(C)(C)C3CCC4(CC3)CN(C(C)(C)C)C4)CC2)C1
InChIInChI=1S/C32H60N2/c1-27(2,3)26-21-31(22-26)17-19-33(20-18-31)30(9,10)16-15-29(7,8)25-11-13-32(14-12-25)23-34(24-32)28(4,5)6/h25-26H,11-24H2,1-10H3
InChIKeyPHKYYGLEZUGFPU-UHFFFAOYSA-N
MW472.85 g/mol
LogP8.40
Rot. Bonds5

About 2-tert-butyl-7-[5-(2-tert-butyl-2-azaspiro[3.5]nonan-7-yl)-2,5-dimethylhexan-2-yl]-7-azaspiro[3.5]nonane

2-tert-butyl-7-[5-(2-tert-butyl-2-azaspiro[3.5]nonan-7-yl)-2,5-dimethylhexan-2-yl]-7-azaspiro[3.5]nonane (PubChem CID 170068685) has the molecular formula C32H60N2 and a molecular weight of 472.85 g/mol. Its IUPAC name is 2-tert-butyl-7-[5-(2-tert-butyl-2-azaspiro[3.5]nonan-7-yl)-2,5-dimethylhexan-2-yl]-7-azaspiro[3.5]nonane.

Molecular Properties

Compound Name2-tert-butyl-7-[5-(2-tert-butyl-2-azaspiro[3.5]nonan-7-yl)-2,5-dimethylhexan-2-yl]-7-azaspiro[3.5]nonane
PubChem CID170068685
Molecular FormulaC32H60N2
Molecular Weight472.85 g/mol
Exact Mass472.48
IUPAC Name2-tert-butyl-7-[5-(2-tert-butyl-2-azaspiro[3.5]nonan-7-yl)-2,5-dimethylhexan-2-yl]-7-azaspiro[3.5]nonane
SMILESCC(C)(C)C1CC2(CCN(C(C)(C)CCC(C)(C)C3CCC4(CC3)CN(C(C)(C)C)C4)CC2)C1
InChIInChI=1S/C32H60N2/c1-27(2,3)26-21-31(22-26)17-19-33(20-18-31)30(9,10)16-15-29(7,8)25-11-13-32(14-12-25)23-34(24-32)28(4,5)6/h25-26H,11-24H2,1-10H3
InChIKeyPHKYYGLEZUGFPU-UHFFFAOYSA-N
XLogP8.40
TPSA6.48 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms34
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500472.85
LogP ≤ 58.40
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Analyze 2-tert-butyl-7-[5-(2-tert-butyl-2-azaspiro[3.5]nonan-7-yl)-2,5-dimethylhexan-2-yl]-7-azaspiro[3.5]nonane with MolForge

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Launch Full Analysis

Related Compounds

7-Propan-2-yl-2-[2-[1-(2,2,2-trifluoroethyl)piperidin-4-yl]propan-2-yl]-2-azaspiro[3.5]nonane
CID 174335013
9-(Azetidin-1-yl)-3-tert-butyl-9-methyl-3-azaspiro[5.5]undecane
CID 59311810
9-(Azetidin-1-yl)-3-tert-butyl-3-azaspiro[5.5]undecane
CID 59367802
1-Tert-butyl-4-(4-tert-butylcyclohexyl)piperidine
CID 59476425
3-Cyclobutyl-9-propan-2-yl-3-azaspiro[5.5]undecane
CID 91043834
2,9-Ditert-butyl-2-azaspiro[5.5]undecane
CID 118634153
2-Tert-butyl-6-[2-methyl-2-(1-methylpiperidin-4-yl)propyl]-2-azaspiro[3.3]heptane
CID 126657816
2-(3-Methylbutan-2-yl)-6-[2-(1-methylpiperidin-4-yl)propyl]-2-azaspiro[3.3]heptane
CID 129146201
2-Tert-butyl-6-[2-(1-methylpiperidin-4-yl)propyl]-2-azaspiro[3.3]heptane
CID 129146216
7-Tert-butyl-3-(2-cyclohexylpropyl)-7-azaspiro[3.5]nonane
CID 129146454
4-[1-[3-(2,2-Dimethylpropyl)-1-methylazetidin-2-yl]-2-methylpropan-2-yl]-1-ethylpiperidine
CID 129267386
4-[2-[3-(2-Cyclobutylpropan-2-yl)azetidin-1-yl]propan-2-yl]-1-propan-2-ylpiperidine
CID 130224167

Frequently Asked Questions

What is the IUPAC name of 2-tert-butyl-7-[5-(2-tert-butyl-2-azaspiro[3.5]nonan-7-yl)-2,5-dimethylhexan-2-yl]-7-azaspiro[3.5]nonane?
The IUPAC name of 2-tert-butyl-7-[5-(2-tert-butyl-2-azaspiro[3.5]nonan-7-yl)-2,5-dimethylhexan-2-yl]-7-azaspiro[3.5]nonane (CID 170068685) is 2-tert-butyl-7-[5-(2-tert-butyl-2-azaspiro[3.5]nonan-7-yl)-2,5-dimethylhexan-2-yl]-7-azaspiro[3.5]nonane.
What is the SMILES notation for 2-tert-butyl-7-[5-(2-tert-butyl-2-azaspiro[3.5]nonan-7-yl)-2,5-dimethylhexan-2-yl]-7-azaspiro[3.5]nonane?
The canonical SMILES for 2-tert-butyl-7-[5-(2-tert-butyl-2-azaspiro[3.5]nonan-7-yl)-2,5-dimethylhexan-2-yl]-7-azaspiro[3.5]nonane is CC(C)(C)C1CC2(CCN(C(C)(C)CCC(C)(C)C3CCC4(CC3)CN(C(C)(C)C)C4)CC2)C1.
What is the InChIKey of 2-tert-butyl-7-[5-(2-tert-butyl-2-azaspiro[3.5]nonan-7-yl)-2,5-dimethylhexan-2-yl]-7-azaspiro[3.5]nonane?
The InChIKey is PHKYYGLEZUGFPU-UHFFFAOYSA-N. The full InChI is InChI=1S/C32H60N2/c1-27(2,3)26-21-31(22-26)17-19-33(20-18-31)30(9,10)16-15-29(7,8)25-11-13-32(14-12-25)23-34(24-32)28(4,5)6/h25-26H,11-24H2,1-10H3.
What are the key properties of 2-tert-butyl-7-[5-(2-tert-butyl-2-azaspiro[3.5]nonan-7-yl)-2,5-dimethylhexan-2-yl]-7-azaspiro[3.5]nonane?
2-tert-butyl-7-[5-(2-tert-butyl-2-azaspiro[3.5]nonan-7-yl)-2,5-dimethylhexan-2-yl]-7-azaspiro[3.5]nonane has a molecular weight of 472.85 g/mol, XLogP of 8.40, 5 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-tert-butyl-7-[5-(2-tert-butyl-2-azaspiro[3.5]nonan-7-yl)-2,5-dimethylhexan-2-yl]-7-azaspiro[3.5]nonane is sourced from PubChem (CID 170068685), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).