8-tert-butyl-2,8-diazaspiro[4.5]decane;2-tert-butyl-2,7-diazaspiro[4.4]nonane;2-tert-butyl-2,7-diazaspiro[3.4]octane

C33H66N6 — CID 158019880

IUPAC8-tert-butyl-2,8-diazaspiro[4.5]decane;2-tert-butyl-2,7-diazaspiro[4.4]nonane;2-tert-butyl-2,7-diazaspiro[3.4]octane
SMILESCC(C)(C)N1CC2(CCNC2)C1.CC(C)(C)N1CCC2(CCNC2)C1.CC(C)(C)N1CCC2(CCNC2)CC1
InChIInChI=1S/C12H24N2.C11H22N2.C10H20N2/c1-11(2,3)14-8-5-12(6-9-14)4-7-13-10-12;1-10(2,3)13-7-5-11(9-13)4-6-12-8-11;1-9(2,3)12-7-10(8-12)4-5-11-6-10/h13H,4-10H2,1-3H3;12H,4-9H2,1-3H3;11H,4-8H2,1-3H3
InChIKeyFFXUTBBCXJUFGQ-UHFFFAOYSA-N
MW546.93 g/mol
LogP4.41
Rot. Bonds

About 8-tert-butyl-2,8-diazaspiro[4.5]decane;2-tert-butyl-2,7-diazaspiro[4.4]nonane;2-tert-butyl-2,7-diazaspiro[3.4]octane

8-tert-butyl-2,8-diazaspiro[4.5]decane;2-tert-butyl-2,7-diazaspiro[4.4]nonane;2-tert-butyl-2,7-diazaspiro[3.4]octane (PubChem CID 158019880) has the molecular formula C33H66N6 and a molecular weight of 546.93 g/mol. Its IUPAC name is 8-tert-butyl-2,8-diazaspiro[4.5]decane;2-tert-butyl-2,7-diazaspiro[4.4]nonane;2-tert-butyl-2,7-diazaspiro[3.4]octane.

Molecular Properties

Compound Name8-tert-butyl-2,8-diazaspiro[4.5]decane;2-tert-butyl-2,7-diazaspiro[4.4]nonane;2-tert-butyl-2,7-diazaspiro[3.4]octane
PubChem CID158019880
Molecular FormulaC33H66N6
Molecular Weight546.93 g/mol
Exact Mass546.53
IUPAC Name8-tert-butyl-2,8-diazaspiro[4.5]decane;2-tert-butyl-2,7-diazaspiro[4.4]nonane;2-tert-butyl-2,7-diazaspiro[3.4]octane
SMILESCC(C)(C)N1CC2(CCNC2)C1.CC(C)(C)N1CCC2(CCNC2)C1.CC(C)(C)N1CCC2(CCNC2)CC1
InChIInChI=1S/C12H24N2.C11H22N2.C10H20N2/c1-11(2,3)14-8-5-12(6-9-14)4-7-13-10-12;1-10(2,3)13-7-5-11(9-13)4-6-12-8-11;1-9(2,3)12-7-10(8-12)4-5-11-6-10/h13H,4-10H2,1-3H3;12H,4-9H2,1-3H3;11H,4-8H2,1-3H3
InChIKeyFFXUTBBCXJUFGQ-UHFFFAOYSA-N
XLogP4.41
TPSA45.81 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds
Heavy Atoms39
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500546.93
LogP ≤ 54.41
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

Analyze 8-tert-butyl-2,8-diazaspiro[4.5]decane;2-tert-butyl-2,7-diazaspiro[4.4]nonane;2-tert-butyl-2,7-diazaspiro[3.4]octane with MolForge

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Launch Full Analysis

Related Compounds

8-Tert-butyl-2,8-diazaspiro[4.5]decane;2-tert-butyl-2,7-diazaspiro[3.4]octane;2,7-ditert-butyl-2,7-diazaspiro[4.4]nonane;bis(2-methylpropane)
CID 157125212
2,8-Ditert-butyl-2,8-diazaspiro[4.5]decane;2,7-ditert-butyl-2,7-diazaspiro[4.4]nonane;2,7-ditert-butyl-2,7-diazaspiro[3.4]octane
CID 157335949
2-Tert-butyl-2,7-diazaspiro[4.4]nonane;2-tert-butyl-7-methyl-2,7-diazaspiro[4.4]nonane
CID 161482780
Ethane;bis(2-methyl-2,7-diazaspiro[4.4]nonane)
CID 164903780
7-Methyl-2,7-diazaspiro[3.5]nonane;2-propan-2-yl-2,7-diazaspiro[4.4]nonane
CID 166555928

Frequently Asked Questions

What is the IUPAC name of 8-tert-butyl-2,8-diazaspiro[4.5]decane;2-tert-butyl-2,7-diazaspiro[4.4]nonane;2-tert-butyl-2,7-diazaspiro[3.4]octane?
The IUPAC name of 8-tert-butyl-2,8-diazaspiro[4.5]decane;2-tert-butyl-2,7-diazaspiro[4.4]nonane;2-tert-butyl-2,7-diazaspiro[3.4]octane (CID 158019880) is 8-tert-butyl-2,8-diazaspiro[4.5]decane;2-tert-butyl-2,7-diazaspiro[4.4]nonane;2-tert-butyl-2,7-diazaspiro[3.4]octane.
What is the SMILES notation for 8-tert-butyl-2,8-diazaspiro[4.5]decane;2-tert-butyl-2,7-diazaspiro[4.4]nonane;2-tert-butyl-2,7-diazaspiro[3.4]octane?
The canonical SMILES for 8-tert-butyl-2,8-diazaspiro[4.5]decane;2-tert-butyl-2,7-diazaspiro[4.4]nonane;2-tert-butyl-2,7-diazaspiro[3.4]octane is CC(C)(C)N1CC2(CCNC2)C1.CC(C)(C)N1CCC2(CCNC2)C1.CC(C)(C)N1CCC2(CCNC2)CC1.
What is the InChIKey of 8-tert-butyl-2,8-diazaspiro[4.5]decane;2-tert-butyl-2,7-diazaspiro[4.4]nonane;2-tert-butyl-2,7-diazaspiro[3.4]octane?
The InChIKey is FFXUTBBCXJUFGQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H24N2.C11H22N2.C10H20N2/c1-11(2,3)14-8-5-12(6-9-14)4-7-13-10-12;1-10(2,3)13-7-5-11(9-13)4-6-12-8-11;1-9(2,3)12-7-10(8-12)4-5-11-6-10/h13H,4-10H2,1-3H3;12H,4-9H2,1-3H3;11H,4-8H2,1-3H3.
What are the key properties of 8-tert-butyl-2,8-diazaspiro[4.5]decane;2-tert-butyl-2,7-diazaspiro[4.4]nonane;2-tert-butyl-2,7-diazaspiro[3.4]octane?
8-tert-butyl-2,8-diazaspiro[4.5]decane;2-tert-butyl-2,7-diazaspiro[4.4]nonane;2-tert-butyl-2,7-diazaspiro[3.4]octane has a molecular weight of 546.93 g/mol, XLogP of 4.41, 0 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 8-tert-butyl-2,8-diazaspiro[4.5]decane;2-tert-butyl-2,7-diazaspiro[4.4]nonane;2-tert-butyl-2,7-diazaspiro[3.4]octane is sourced from PubChem (CID 158019880), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).