3,7-ditert-butyl-7-azaspiro[4.5]decane;3,8-ditert-butyl-8-azaspiro[4.5]decane;2,9-ditert-butyl-2-azaspiro[5.5]undecane;2,8-ditert-butyl-2,8-diazaspiro[4.5]decane;2,9-ditert-butyl-2,9-diazaspiro[4.5]decane

C84H165N7 — CID 160580149

IUPAC3,7-ditert-butyl-7-azaspiro[4.5]decane;3,8-ditert-butyl-8-azaspiro[4.5]decane;2,9-ditert-butyl-2-azaspiro[5.5]undecane;2,8-ditert-butyl-2,8-diazaspiro[4.5]decane;2,9-ditert-butyl-2,9-diazaspiro[4.5]decane
SMILESCC(C)(C)C1CCC2(CCCN(C(C)(C)C)C2)C1.CC(C)(C)C1CCC2(CCCN(C(C)(C)C)C2)CC1.CC(C)(C)C1CCC2(CCN(C(C)(C)C)CC2)C1.CC(C)(C)N1CCC2(CC1)CCN(C(C)(C)C)C2.CC(C)(C)N1CCCC2(CCN(C(C)(C)C)C2)C1
InChIInChI=1S/C18H35N.2C17H33N.2C16H32N2/c1-16(2,3)15-8-11-18(12-9-15)10-7-13-19(14-18)17(4,5)6;1-15(2,3)14-8-10-17(12-14)9-7-11-18(13-17)16(4,5)6;1-15(2,3)14-7-8-17(13-14)9-11-18(12-10-17)16(4,5)6;1-14(2,3)17-10-7-16(8-11-17)9-12-18(13-16)15(4,5)6;1-14(2,3)17-10-7-8-16(12-17)9-11-18(13-16)15(4,5)6/h15H,7-14H2,1-6H3;2*14H,7-13H2,1-6H3;2*7-13H2,1-6H3
InChIKeyRBRFAQRETVBVJV-UHFFFAOYSA-N
MW1273.29 g/mol
LogP21.27
Rot. Bonds

About 3,7-ditert-butyl-7-azaspiro[4.5]decane;3,8-ditert-butyl-8-azaspiro[4.5]decane;2,9-ditert-butyl-2-azaspiro[5.5]undecane;2,8-ditert-butyl-2,8-diazaspiro[4.5]decane;2,9-ditert-butyl-2,9-diazaspiro[4.5]decane

3,7-ditert-butyl-7-azaspiro[4.5]decane;3,8-ditert-butyl-8-azaspiro[4.5]decane;2,9-ditert-butyl-2-azaspiro[5.5]undecane;2,8-ditert-butyl-2,8-diazaspiro[4.5]decane;2,9-ditert-butyl-2,9-diazaspiro[4.5]decane (PubChem CID 160580149) has the molecular formula C84H165N7 and a molecular weight of 1273.29 g/mol. Its IUPAC name is 3,7-ditert-butyl-7-azaspiro[4.5]decane;3,8-ditert-butyl-8-azaspiro[4.5]decane;2,9-ditert-butyl-2-azaspiro[5.5]undecane;2,8-ditert-butyl-2,8-diazaspiro[4.5]decane;2,9-ditert-butyl-2,9-diazaspiro[4.5]decane.

Molecular Properties

Compound Name3,7-ditert-butyl-7-azaspiro[4.5]decane;3,8-ditert-butyl-8-azaspiro[4.5]decane;2,9-ditert-butyl-2-azaspiro[5.5]undecane;2,8-ditert-butyl-2,8-diazaspiro[4.5]decane;2,9-ditert-butyl-2,9-diazaspiro[4.5]decane
PubChem CID160580149
Molecular FormulaC84H165N7
Molecular Weight1273.29 g/mol
Exact Mass1272.31
IUPAC Name3,7-ditert-butyl-7-azaspiro[4.5]decane;3,8-ditert-butyl-8-azaspiro[4.5]decane;2,9-ditert-butyl-2-azaspiro[5.5]undecane;2,8-ditert-butyl-2,8-diazaspiro[4.5]decane;2,9-ditert-butyl-2,9-diazaspiro[4.5]decane
SMILESCC(C)(C)C1CCC2(CCCN(C(C)(C)C)C2)C1.CC(C)(C)C1CCC2(CCCN(C(C)(C)C)C2)CC1.CC(C)(C)C1CCC2(CCN(C(C)(C)C)CC2)C1.CC(C)(C)N1CCC2(CC1)CCN(C(C)(C)C)C2.CC(C)(C)N1CCCC2(CCN(C(C)(C)C)C2)C1
InChIInChI=1S/C18H35N.2C17H33N.2C16H32N2/c1-16(2,3)15-8-11-18(12-9-15)10-7-13-19(14-18)17(4,5)6;1-15(2,3)14-8-10-17(12-14)9-7-11-18(13-17)16(4,5)6;1-15(2,3)14-7-8-17(13-14)9-11-18(12-10-17)16(4,5)6;1-14(2,3)17-10-7-16(8-11-17)9-12-18(13-16)15(4,5)6;1-14(2,3)17-10-7-8-16(12-17)9-11-18(13-16)15(4,5)6/h15H,7-14H2,1-6H3;2*14H,7-13H2,1-6H3;2*7-13H2,1-6H3
InChIKeyRBRFAQRETVBVJV-UHFFFAOYSA-N
XLogP21.27
TPSA22.68 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds
Heavy Atoms91
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 5001273.29
LogP ≤ 521.27
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

Analyze 3,7-ditert-butyl-7-azaspiro[4.5]decane;3,8-ditert-butyl-8-azaspiro[4.5]decane;2,9-ditert-butyl-2-azaspiro[5.5]undecane;2,8-ditert-butyl-2,8-diazaspiro[4.5]decane;2,9-ditert-butyl-2,9-diazaspiro[4.5]decane with MolForge

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Frequently Asked Questions

What is the IUPAC name of 3,7-ditert-butyl-7-azaspiro[4.5]decane;3,8-ditert-butyl-8-azaspiro[4.5]decane;2,9-ditert-butyl-2-azaspiro[5.5]undecane;2,8-ditert-butyl-2,8-diazaspiro[4.5]decane;2,9-ditert-butyl-2,9-diazaspiro[4.5]decane?
The IUPAC name of 3,7-ditert-butyl-7-azaspiro[4.5]decane;3,8-ditert-butyl-8-azaspiro[4.5]decane;2,9-ditert-butyl-2-azaspiro[5.5]undecane;2,8-ditert-butyl-2,8-diazaspiro[4.5]decane;2,9-ditert-butyl-2,9-diazaspiro[4.5]decane (CID 160580149) is 3,7-ditert-butyl-7-azaspiro[4.5]decane;3,8-ditert-butyl-8-azaspiro[4.5]decane;2,9-ditert-butyl-2-azaspiro[5.5]undecane;2,8-ditert-butyl-2,8-diazaspiro[4.5]decane;2,9-ditert-butyl-2,9-diazaspiro[4.5]decane.
What is the SMILES notation for 3,7-ditert-butyl-7-azaspiro[4.5]decane;3,8-ditert-butyl-8-azaspiro[4.5]decane;2,9-ditert-butyl-2-azaspiro[5.5]undecane;2,8-ditert-butyl-2,8-diazaspiro[4.5]decane;2,9-ditert-butyl-2,9-diazaspiro[4.5]decane?
The canonical SMILES for 3,7-ditert-butyl-7-azaspiro[4.5]decane;3,8-ditert-butyl-8-azaspiro[4.5]decane;2,9-ditert-butyl-2-azaspiro[5.5]undecane;2,8-ditert-butyl-2,8-diazaspiro[4.5]decane;2,9-ditert-butyl-2,9-diazaspiro[4.5]decane is CC(C)(C)C1CCC2(CCCN(C(C)(C)C)C2)C1.CC(C)(C)C1CCC2(CCCN(C(C)(C)C)C2)CC1.CC(C)(C)C1CCC2(CCN(C(C)(C)C)CC2)C1.CC(C)(C)N1CCC2(CC1)CCN(C(C)(C)C)C2.CC(C)(C)N1CCCC2(CCN(C(C)(C)C)C2)C1.
What is the InChIKey of 3,7-ditert-butyl-7-azaspiro[4.5]decane;3,8-ditert-butyl-8-azaspiro[4.5]decane;2,9-ditert-butyl-2-azaspiro[5.5]undecane;2,8-ditert-butyl-2,8-diazaspiro[4.5]decane;2,9-ditert-butyl-2,9-diazaspiro[4.5]decane?
The InChIKey is RBRFAQRETVBVJV-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H35N.2C17H33N.2C16H32N2/c1-16(2,3)15-8-11-18(12-9-15)10-7-13-19(14-18)17(4,5)6;1-15(2,3)14-8-10-17(12-14)9-7-11-18(13-17)16(4,5)6;1-15(2,3)14-7-8-17(13-14)9-11-18(12-10-17)16(4,5)6;1-14(2,3)17-10-7-16(8-11-17)9-12-18(13-16)15(4,5)6;1-14(2,3)17-10-7-8-16(12-17)9-11-18(13-16)15(4,5)6/h15H,7-14H2,1-6H3;2*14H,7-13H2,1-6H3;2*7-13H2,1-6H3.
What are the key properties of 3,7-ditert-butyl-7-azaspiro[4.5]decane;3,8-ditert-butyl-8-azaspiro[4.5]decane;2,9-ditert-butyl-2-azaspiro[5.5]undecane;2,8-ditert-butyl-2,8-diazaspiro[4.5]decane;2,9-ditert-butyl-2,9-diazaspiro[4.5]decane?
3,7-ditert-butyl-7-azaspiro[4.5]decane;3,8-ditert-butyl-8-azaspiro[4.5]decane;2,9-ditert-butyl-2-azaspiro[5.5]undecane;2,8-ditert-butyl-2,8-diazaspiro[4.5]decane;2,9-ditert-butyl-2,9-diazaspiro[4.5]decane has a molecular weight of 1273.29 g/mol, XLogP of 21.27, 0 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 3,7-ditert-butyl-7-azaspiro[4.5]decane;3,8-ditert-butyl-8-azaspiro[4.5]decane;2,9-ditert-butyl-2-azaspiro[5.5]undecane;2,8-ditert-butyl-2,8-diazaspiro[4.5]decane;2,9-ditert-butyl-2,9-diazaspiro[4.5]decane is sourced from PubChem (CID 160580149), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).