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)

C45H94N6 — CID 157125212

IUPAC8-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)
SMILESCC(C)(C)N1CC2(CCNC2)C1.CC(C)(C)N1CCC2(CCN(C(C)(C)C)C2)C1.CC(C)(C)N1CCC2(CCNC2)CC1.CC(C)C.CC(C)C
InChIInChI=1S/C15H30N2.C12H24N2.C10H20N2.2C4H10/c1-13(2,3)16-9-7-15(11-16)8-10-17(12-15)14(4,5)6;1-11(2,3)14-8-5-12(6-9-14)4-7-13-10-12;1-9(2,3)12-7-10(8-12)4-5-11-6-10;2*1-4(2)3/h7-12H2,1-6H3;13H,4-10H2,1-3H3;11H,4-8H2,1-3H3;2*4H,1-3H3
InChIKeyAIKTXKGCOYBRIF-UHFFFAOYSA-N
MW719.29 g/mol
LogP9.25
Rot. Bonds

About 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)

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) (PubChem CID 157125212) has the molecular formula C45H94N6 and a molecular weight of 719.29 g/mol. Its IUPAC name is 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).

Molecular Properties

Compound Name8-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)
PubChem CID157125212
Molecular FormulaC45H94N6
Molecular Weight719.29 g/mol
Exact Mass718.75
IUPAC Name8-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)
SMILESCC(C)(C)N1CC2(CCNC2)C1.CC(C)(C)N1CCC2(CCN(C(C)(C)C)C2)C1.CC(C)(C)N1CCC2(CCNC2)CC1.CC(C)C.CC(C)C
InChIInChI=1S/C15H30N2.C12H24N2.C10H20N2.2C4H10/c1-13(2,3)16-9-7-15(11-16)8-10-17(12-15)14(4,5)6;1-11(2,3)14-8-5-12(6-9-14)4-7-13-10-12;1-9(2,3)12-7-10(8-12)4-5-11-6-10;2*1-4(2)3/h7-12H2,1-6H3;13H,4-10H2,1-3H3;11H,4-8H2,1-3H3;2*4H,1-3H3
InChIKeyAIKTXKGCOYBRIF-UHFFFAOYSA-N
XLogP9.25
TPSA37.02 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds
Heavy Atoms51
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500719.29
LogP ≤ 59.25
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Analyze 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) with MolForge

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Frequently Asked Questions

What is the IUPAC name of 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)?
The IUPAC name of 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) is 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).
What is the SMILES notation for 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)?
The canonical SMILES for 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) is CC(C)(C)N1CC2(CCNC2)C1.CC(C)(C)N1CCC2(CCN(C(C)(C)C)C2)C1.CC(C)(C)N1CCC2(CCNC2)CC1.CC(C)C.CC(C)C.
What is the InChIKey of 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)?
The InChIKey is AIKTXKGCOYBRIF-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H30N2.C12H24N2.C10H20N2.2C4H10/c1-13(2,3)16-9-7-15(11-16)8-10-17(12-15)14(4,5)6;1-11(2,3)14-8-5-12(6-9-14)4-7-13-10-12;1-9(2,3)12-7-10(8-12)4-5-11-6-10;2*1-4(2)3/h7-12H2,1-6H3;13H,4-10H2,1-3H3;11H,4-8H2,1-3H3;2*4H,1-3H3.
What are the key properties of 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)?
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) has a molecular weight of 719.29 g/mol, XLogP of 9.25, 0 rotatable bonds, 2 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[3.4]octane;2,7-ditert-butyl-2,7-diazaspiro[4.4]nonane;bis(2-methylpropane) is sourced from PubChem (CID 157125212), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).