8-tert-butyl-8-azaspiro[4.5]decane;2-tert-butyl-2,6-diazaspiro[3.3]heptane;2-tert-butyl-2,7-diazaspiro[3.5]nonane;2-tert-butyl-2,7-diazaspiro[3.4]octane;6-tert-butyl-2,6-diazaspiro[3.4]octane

C53H105N9 — CID 158484447

IUPAC8-tert-butyl-8-azaspiro[4.5]decane;2-tert-butyl-2,6-diazaspiro[3.3]heptane;2-tert-butyl-2,7-diazaspiro[3.5]nonane;2-tert-butyl-2,7-diazaspiro[3.4]octane;6-tert-butyl-2,6-diazaspiro[3.4]octane
SMILESCC(C)(C)N1CC2(CCNC2)C1.CC(C)(C)N1CC2(CCNCC2)C1.CC(C)(C)N1CC2(CNC2)C1.CC(C)(C)N1CCC2(CCCC2)CC1.CC(C)(C)N1CCC2(CNC2)C1
InChIInChI=1S/C13H25N.C11H22N2.2C10H20N2.C9H18N2/c1-12(2,3)14-10-8-13(9-11-14)6-4-5-7-13;1-10(2,3)13-8-11(9-13)4-6-12-7-5-11;1-9(2,3)12-5-4-10(8-12)6-11-7-10;1-9(2,3)12-7-10(8-12)4-5-11-6-10;1-8(2,3)11-6-9(7-11)4-10-5-9/h4-11H2,1-3H3;12H,4-9H2,1-3H3;2*11H,4-8H2,1-3H3;10H,4-7H2,1-3H3
InChIKeyHHXNJILGHROJOV-UHFFFAOYSA-N
MW868.49 g/mol
LogP7.76
Rot. Bonds

About 8-tert-butyl-8-azaspiro[4.5]decane;2-tert-butyl-2,6-diazaspiro[3.3]heptane;2-tert-butyl-2,7-diazaspiro[3.5]nonane;2-tert-butyl-2,7-diazaspiro[3.4]octane;6-tert-butyl-2,6-diazaspiro[3.4]octane

8-tert-butyl-8-azaspiro[4.5]decane;2-tert-butyl-2,6-diazaspiro[3.3]heptane;2-tert-butyl-2,7-diazaspiro[3.5]nonane;2-tert-butyl-2,7-diazaspiro[3.4]octane;6-tert-butyl-2,6-diazaspiro[3.4]octane (PubChem CID 158484447) has the molecular formula C53H105N9 and a molecular weight of 868.49 g/mol. Its IUPAC name is 8-tert-butyl-8-azaspiro[4.5]decane;2-tert-butyl-2,6-diazaspiro[3.3]heptane;2-tert-butyl-2,7-diazaspiro[3.5]nonane;2-tert-butyl-2,7-diazaspiro[3.4]octane;6-tert-butyl-2,6-diazaspiro[3.4]octane.

Molecular Properties

Compound Name8-tert-butyl-8-azaspiro[4.5]decane;2-tert-butyl-2,6-diazaspiro[3.3]heptane;2-tert-butyl-2,7-diazaspiro[3.5]nonane;2-tert-butyl-2,7-diazaspiro[3.4]octane;6-tert-butyl-2,6-diazaspiro[3.4]octane
PubChem CID158484447
Molecular FormulaC53H105N9
Molecular Weight868.49 g/mol
Exact Mass867.85
IUPAC Name8-tert-butyl-8-azaspiro[4.5]decane;2-tert-butyl-2,6-diazaspiro[3.3]heptane;2-tert-butyl-2,7-diazaspiro[3.5]nonane;2-tert-butyl-2,7-diazaspiro[3.4]octane;6-tert-butyl-2,6-diazaspiro[3.4]octane
SMILESCC(C)(C)N1CC2(CCNC2)C1.CC(C)(C)N1CC2(CCNCC2)C1.CC(C)(C)N1CC2(CNC2)C1.CC(C)(C)N1CCC2(CCCC2)CC1.CC(C)(C)N1CCC2(CNC2)C1
InChIInChI=1S/C13H25N.C11H22N2.2C10H20N2.C9H18N2/c1-12(2,3)14-10-8-13(9-11-14)6-4-5-7-13;1-10(2,3)13-8-11(9-13)4-6-12-7-5-11;1-9(2,3)12-5-4-10(8-12)6-11-7-10;1-9(2,3)12-7-10(8-12)4-5-11-6-10;1-8(2,3)11-6-9(7-11)4-10-5-9/h4-11H2,1-3H3;12H,4-9H2,1-3H3;2*11H,4-8H2,1-3H3;10H,4-7H2,1-3H3
InChIKeyHHXNJILGHROJOV-UHFFFAOYSA-N
XLogP7.76
TPSA64.32 Ų
H-Bond Donors4
H-Bond Acceptors9
Rotatable Bonds
Heavy Atoms62
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500868.49
LogP ≤ 57.76
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 109

Analyze 8-tert-butyl-8-azaspiro[4.5]decane;2-tert-butyl-2,6-diazaspiro[3.3]heptane;2-tert-butyl-2,7-diazaspiro[3.5]nonane;2-tert-butyl-2,7-diazaspiro[3.4]octane;6-tert-butyl-2,6-diazaspiro[3.4]octane with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2-Methyl-2,9-diazaspiro[4.5]decane;2-methyl-2,7-diazaspiro[3.5]nonane;2-methyl-2,7-diazaspiro[4.4]nonane;7-methyl-2,7-diazaspiro[3.5]nonane
CID 158581576
2-Tert-butyl-2-azaspiro[3.4]octane;2-tert-butyl-2,6-diazaspiro[3.3]heptane;2-tert-butyl-2,7-diazaspiro[3.5]nonane;2-tert-butyl-2,8-diazaspiro[3.5]nonane;7-tert-butyl-2,7-diazaspiro[3.5]nonane;2-tert-butyl-2,5-diazaspiro[3.4]octane;2-tert-butyl-2,7-diazaspiro[3.4]octane;3-tert-butyl-3,9-diazaspiro[5.5]undecane;9-tert-butyl-1,9-diazaspiro[5.5]undecane
CID 161013570
2-Methyl-2-azaspiro[4.5]decane;2-methyl-2,7-diazaspiro[3.5]nonane;2-methyl-2,7-diazaspiro[4.4]nonane;7-methyl-2,7-diazaspiro[3.5]nonane
CID 161212298
N-tert-butyl-N',N'-dimethylbutane-1,4-diamine;N-tert-butyl-N',N'-dimethylethane-1,2-diamine;N-tert-butyl-N',N'-dimethylpropane-1,3-diamine;N,N-dibutyl-4,4-dimethylpentan-1-amine;N,N-diethyl-4,4-dimethylpentan-1-amine;4,4-dimethyl-N,N-di(propan-2-yl)pentan-1-amine;4,4-dimethyl-N,N-dipropylpentan-1-amine;1-(5,5-dimethylhexyl)azetidine;1-(5,5-dimethylhexyl)piperidine;1-(4,4-dimethylpentyl)azetidine;1-(4,4-dimethylpentyl)pyrrolidine;2-methyl-N-(2-piperidin-1-ylethyl)propan-2-amine;2-methyl-N-(3-pyrrolidin-1-ylpropyl)propan-2-amine
CID 167627502
7-[8-(2,6-Diazaspiro[3.4]octan-6-yl)-7-(2,7-diazaspiro[3.4]octan-2-yl)-2,5,7,8-tetramethyl-5-piperazin-1-yldecan-2-yl]-2,7-diazaspiro[3.5]nonane
CID 170142862
1-[5-[7-[2-(2,6-Diazaspiro[3.4]octan-6-yl)propan-2-yl]-2,7-diazaspiro[3.5]nonan-2-yl]hexan-2-yl]-1,8-diazaspiro[4.5]decane
CID 174154462

Frequently Asked Questions

What is the IUPAC name of 8-tert-butyl-8-azaspiro[4.5]decane;2-tert-butyl-2,6-diazaspiro[3.3]heptane;2-tert-butyl-2,7-diazaspiro[3.5]nonane;2-tert-butyl-2,7-diazaspiro[3.4]octane;6-tert-butyl-2,6-diazaspiro[3.4]octane?
The IUPAC name of 8-tert-butyl-8-azaspiro[4.5]decane;2-tert-butyl-2,6-diazaspiro[3.3]heptane;2-tert-butyl-2,7-diazaspiro[3.5]nonane;2-tert-butyl-2,7-diazaspiro[3.4]octane;6-tert-butyl-2,6-diazaspiro[3.4]octane (CID 158484447) is 8-tert-butyl-8-azaspiro[4.5]decane;2-tert-butyl-2,6-diazaspiro[3.3]heptane;2-tert-butyl-2,7-diazaspiro[3.5]nonane;2-tert-butyl-2,7-diazaspiro[3.4]octane;6-tert-butyl-2,6-diazaspiro[3.4]octane.
What is the SMILES notation for 8-tert-butyl-8-azaspiro[4.5]decane;2-tert-butyl-2,6-diazaspiro[3.3]heptane;2-tert-butyl-2,7-diazaspiro[3.5]nonane;2-tert-butyl-2,7-diazaspiro[3.4]octane;6-tert-butyl-2,6-diazaspiro[3.4]octane?
The canonical SMILES for 8-tert-butyl-8-azaspiro[4.5]decane;2-tert-butyl-2,6-diazaspiro[3.3]heptane;2-tert-butyl-2,7-diazaspiro[3.5]nonane;2-tert-butyl-2,7-diazaspiro[3.4]octane;6-tert-butyl-2,6-diazaspiro[3.4]octane is CC(C)(C)N1CC2(CCNC2)C1.CC(C)(C)N1CC2(CCNCC2)C1.CC(C)(C)N1CC2(CNC2)C1.CC(C)(C)N1CCC2(CCCC2)CC1.CC(C)(C)N1CCC2(CNC2)C1.
What is the InChIKey of 8-tert-butyl-8-azaspiro[4.5]decane;2-tert-butyl-2,6-diazaspiro[3.3]heptane;2-tert-butyl-2,7-diazaspiro[3.5]nonane;2-tert-butyl-2,7-diazaspiro[3.4]octane;6-tert-butyl-2,6-diazaspiro[3.4]octane?
The InChIKey is HHXNJILGHROJOV-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H25N.C11H22N2.2C10H20N2.C9H18N2/c1-12(2,3)14-10-8-13(9-11-14)6-4-5-7-13;1-10(2,3)13-8-11(9-13)4-6-12-7-5-11;1-9(2,3)12-5-4-10(8-12)6-11-7-10;1-9(2,3)12-7-10(8-12)4-5-11-6-10;1-8(2,3)11-6-9(7-11)4-10-5-9/h4-11H2,1-3H3;12H,4-9H2,1-3H3;2*11H,4-8H2,1-3H3;10H,4-7H2,1-3H3.
What are the key properties of 8-tert-butyl-8-azaspiro[4.5]decane;2-tert-butyl-2,6-diazaspiro[3.3]heptane;2-tert-butyl-2,7-diazaspiro[3.5]nonane;2-tert-butyl-2,7-diazaspiro[3.4]octane;6-tert-butyl-2,6-diazaspiro[3.4]octane?
8-tert-butyl-8-azaspiro[4.5]decane;2-tert-butyl-2,6-diazaspiro[3.3]heptane;2-tert-butyl-2,7-diazaspiro[3.5]nonane;2-tert-butyl-2,7-diazaspiro[3.4]octane;6-tert-butyl-2,6-diazaspiro[3.4]octane has a molecular weight of 868.49 g/mol, XLogP of 7.76, 0 rotatable bonds, 4 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for 8-tert-butyl-8-azaspiro[4.5]decane;2-tert-butyl-2,6-diazaspiro[3.3]heptane;2-tert-butyl-2,7-diazaspiro[3.5]nonane;2-tert-butyl-2,7-diazaspiro[3.4]octane;6-tert-butyl-2,6-diazaspiro[3.4]octane is sourced from PubChem (CID 158484447), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).