2,6-ditert-butyl-2,6-diazaspiro[3.3]heptane;1,4-ditert-butylpiperazine

C25H52N4 — CID 159767975

IUPAC2,6-ditert-butyl-2,6-diazaspiro[3.3]heptane;1,4-ditert-butylpiperazine
SMILESCC(C)(C)N1CC2(C1)CN(C(C)(C)C)C2.CC(C)(C)N1CCN(C(C)(C)C)CC1
InChIInChI=1S/C13H26N2.C12H26N2/c1-11(2,3)14-7-13(8-14)9-15(10-13)12(4,5)6;1-11(2,3)13-7-9-14(10-8-13)12(4,5)6/h7-10H2,1-6H3;7-10H2,1-6H3
InChIKeyNFSZNOBGILZAAN-UHFFFAOYSA-N
MW408.72 g/mol
LogP4.40
Rot. Bonds

About 2,6-ditert-butyl-2,6-diazaspiro[3.3]heptane;1,4-ditert-butylpiperazine

2,6-ditert-butyl-2,6-diazaspiro[3.3]heptane;1,4-ditert-butylpiperazine (PubChem CID 159767975) has the molecular formula C25H52N4 and a molecular weight of 408.72 g/mol. Its IUPAC name is 2,6-ditert-butyl-2,6-diazaspiro[3.3]heptane;1,4-ditert-butylpiperazine.

Molecular Properties

Compound Name2,6-ditert-butyl-2,6-diazaspiro[3.3]heptane;1,4-ditert-butylpiperazine
PubChem CID159767975
Molecular FormulaC25H52N4
Molecular Weight408.72 g/mol
Exact Mass408.42
IUPAC Name2,6-ditert-butyl-2,6-diazaspiro[3.3]heptane;1,4-ditert-butylpiperazine
SMILESCC(C)(C)N1CC2(C1)CN(C(C)(C)C)C2.CC(C)(C)N1CCN(C(C)(C)C)CC1
InChIInChI=1S/C13H26N2.C12H26N2/c1-11(2,3)14-7-13(8-14)9-15(10-13)12(4,5)6;1-11(2,3)13-7-9-14(10-8-13)12(4,5)6/h7-10H2,1-6H3;7-10H2,1-6H3
InChIKeyNFSZNOBGILZAAN-UHFFFAOYSA-N
XLogP4.40
TPSA12.96 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500408.72
LogP ≤ 54.40
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2,6-ditert-butyl-2,6-diazaspiro[3.3]heptane;1,4-ditert-butylpiperazine?
The IUPAC name of 2,6-ditert-butyl-2,6-diazaspiro[3.3]heptane;1,4-ditert-butylpiperazine (CID 159767975) is 2,6-ditert-butyl-2,6-diazaspiro[3.3]heptane;1,4-ditert-butylpiperazine.
What is the SMILES notation for 2,6-ditert-butyl-2,6-diazaspiro[3.3]heptane;1,4-ditert-butylpiperazine?
The canonical SMILES for 2,6-ditert-butyl-2,6-diazaspiro[3.3]heptane;1,4-ditert-butylpiperazine is CC(C)(C)N1CC2(C1)CN(C(C)(C)C)C2.CC(C)(C)N1CCN(C(C)(C)C)CC1.
What is the InChIKey of 2,6-ditert-butyl-2,6-diazaspiro[3.3]heptane;1,4-ditert-butylpiperazine?
The InChIKey is NFSZNOBGILZAAN-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H26N2.C12H26N2/c1-11(2,3)14-7-13(8-14)9-15(10-13)12(4,5)6;1-11(2,3)13-7-9-14(10-8-13)12(4,5)6/h7-10H2,1-6H3;7-10H2,1-6H3.
What are the key properties of 2,6-ditert-butyl-2,6-diazaspiro[3.3]heptane;1,4-ditert-butylpiperazine?
2,6-ditert-butyl-2,6-diazaspiro[3.3]heptane;1,4-ditert-butylpiperazine has a molecular weight of 408.72 g/mol, XLogP of 4.40, 0 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2,6-ditert-butyl-2,6-diazaspiro[3.3]heptane;1,4-ditert-butylpiperazine is sourced from PubChem (CID 159767975), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).