2,6-ditert-butyl-2-azaspiro[3.3]heptane;1,3-ditert-butylazetidine;1,3-ditert-butylcyclobutane;2,6-ditert-butyl-2,6-diazaspiro[3.3]heptane;1,4-ditert-butylpiperazine;1,4-ditert-butylpiperidine;1,3-ditert-butylpyrrolidine

C87H178N8 — CID 157166922

IUPAC2,6-ditert-butyl-2-azaspiro[3.3]heptane;1,3-ditert-butylazetidine;1,3-ditert-butylcyclobutane;2,6-ditert-butyl-2,6-diazaspiro[3.3]heptane;1,4-ditert-butylpiperazine;1,4-ditert-butylpiperidine;1,3-ditert-butylpyrrolidine
SMILESCC(C)(C)C1CC(C(C)(C)C)C1.CC(C)(C)C1CC2(C1)CN(C(C)(C)C)C2.CC(C)(C)C1CCN(C(C)(C)C)C1.CC(C)(C)C1CCN(C(C)(C)C)CC1.CC(C)(C)C1CN(C(C)(C)C)C1.CC(C)(C)N1CC2(C1)CN(C(C)(C)C)C2.CC(C)(C)N1CCN(C(C)(C)C)CC1
InChIInChI=1S/C14H27N.C13H26N2.C13H27N.C12H26N2.C12H25N.C12H24.C11H23N/c1-12(2,3)11-7-14(8-11)9-15(10-14)13(4,5)6;1-11(2,3)14-7-13(8-14)9-15(10-13)12(4,5)6;1-12(2,3)11-7-9-14(10-8-11)13(4,5)6;1-11(2,3)13-7-9-14(10-8-13)12(4,5)6;1-11(2,3)10-7-8-13(9-10)12(4,5)6;1-11(2,3)9-7-10(8-9)12(4,5)6;1-10(2,3)9-7-12(8-9)11(4,5)6/h11H,7-10H2,1-6H3;7-10H2,1-6H3;11H,7-10H2,1-6H3;7-10H2,1-6H3;10H,7-9H2,1-6H3;9-10H,7-8H2,1-6H3;9H,7-8H2,1-6H3
InChIKeyANAGSINFCWOTDP-UHFFFAOYSA-N
MW1336.44 g/mol
LogP21.51
Rot. Bonds

About 2,6-ditert-butyl-2-azaspiro[3.3]heptane;1,3-ditert-butylazetidine;1,3-ditert-butylcyclobutane;2,6-ditert-butyl-2,6-diazaspiro[3.3]heptane;1,4-ditert-butylpiperazine;1,4-ditert-butylpiperidine;1,3-ditert-butylpyrrolidine

2,6-ditert-butyl-2-azaspiro[3.3]heptane;1,3-ditert-butylazetidine;1,3-ditert-butylcyclobutane;2,6-ditert-butyl-2,6-diazaspiro[3.3]heptane;1,4-ditert-butylpiperazine;1,4-ditert-butylpiperidine;1,3-ditert-butylpyrrolidine (PubChem CID 157166922) has the molecular formula C87H178N8 and a molecular weight of 1336.44 g/mol. Its IUPAC name is 2,6-ditert-butyl-2-azaspiro[3.3]heptane;1,3-ditert-butylazetidine;1,3-ditert-butylcyclobutane;2,6-ditert-butyl-2,6-diazaspiro[3.3]heptane;1,4-ditert-butylpiperazine;1,4-ditert-butylpiperidine;1,3-ditert-butylpyrrolidine.

Molecular Properties

Compound Name2,6-ditert-butyl-2-azaspiro[3.3]heptane;1,3-ditert-butylazetidine;1,3-ditert-butylcyclobutane;2,6-ditert-butyl-2,6-diazaspiro[3.3]heptane;1,4-ditert-butylpiperazine;1,4-ditert-butylpiperidine;1,3-ditert-butylpyrrolidine
PubChem CID157166922
Molecular FormulaC87H178N8
Molecular Weight1336.44 g/mol
Exact Mass1335.42
IUPAC Name2,6-ditert-butyl-2-azaspiro[3.3]heptane;1,3-ditert-butylazetidine;1,3-ditert-butylcyclobutane;2,6-ditert-butyl-2,6-diazaspiro[3.3]heptane;1,4-ditert-butylpiperazine;1,4-ditert-butylpiperidine;1,3-ditert-butylpyrrolidine
SMILESCC(C)(C)C1CC(C(C)(C)C)C1.CC(C)(C)C1CC2(C1)CN(C(C)(C)C)C2.CC(C)(C)C1CCN(C(C)(C)C)C1.CC(C)(C)C1CCN(C(C)(C)C)CC1.CC(C)(C)C1CN(C(C)(C)C)C1.CC(C)(C)N1CC2(C1)CN(C(C)(C)C)C2.CC(C)(C)N1CCN(C(C)(C)C)CC1
InChIInChI=1S/C14H27N.C13H26N2.C13H27N.C12H26N2.C12H25N.C12H24.C11H23N/c1-12(2,3)11-7-14(8-11)9-15(10-14)13(4,5)6;1-11(2,3)14-7-13(8-14)9-15(10-13)12(4,5)6;1-12(2,3)11-7-9-14(10-8-11)13(4,5)6;1-11(2,3)13-7-9-14(10-8-13)12(4,5)6;1-11(2,3)10-7-8-13(9-10)12(4,5)6;1-11(2,3)9-7-10(8-9)12(4,5)6;1-10(2,3)9-7-12(8-9)11(4,5)6/h11H,7-10H2,1-6H3;7-10H2,1-6H3;11H,7-10H2,1-6H3;7-10H2,1-6H3;10H,7-9H2,1-6H3;9-10H,7-8H2,1-6H3;9H,7-8H2,1-6H3
InChIKeyANAGSINFCWOTDP-UHFFFAOYSA-N
XLogP21.51
TPSA25.92 Ų
H-Bond Donors
H-Bond Acceptors8
Rotatable Bonds
Heavy Atoms95
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 5001336.44
LogP ≤ 521.51
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 108

Analyze 2,6-ditert-butyl-2-azaspiro[3.3]heptane;1,3-ditert-butylazetidine;1,3-ditert-butylcyclobutane;2,6-ditert-butyl-2,6-diazaspiro[3.3]heptane;1,4-ditert-butylpiperazine;1,4-ditert-butylpiperidine;1,3-ditert-butylpyrrolidine with MolForge

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Frequently Asked Questions

What is the IUPAC name of 2,6-ditert-butyl-2-azaspiro[3.3]heptane;1,3-ditert-butylazetidine;1,3-ditert-butylcyclobutane;2,6-ditert-butyl-2,6-diazaspiro[3.3]heptane;1,4-ditert-butylpiperazine;1,4-ditert-butylpiperidine;1,3-ditert-butylpyrrolidine?
The IUPAC name of 2,6-ditert-butyl-2-azaspiro[3.3]heptane;1,3-ditert-butylazetidine;1,3-ditert-butylcyclobutane;2,6-ditert-butyl-2,6-diazaspiro[3.3]heptane;1,4-ditert-butylpiperazine;1,4-ditert-butylpiperidine;1,3-ditert-butylpyrrolidine (CID 157166922) is 2,6-ditert-butyl-2-azaspiro[3.3]heptane;1,3-ditert-butylazetidine;1,3-ditert-butylcyclobutane;2,6-ditert-butyl-2,6-diazaspiro[3.3]heptane;1,4-ditert-butylpiperazine;1,4-ditert-butylpiperidine;1,3-ditert-butylpyrrolidine.
What is the SMILES notation for 2,6-ditert-butyl-2-azaspiro[3.3]heptane;1,3-ditert-butylazetidine;1,3-ditert-butylcyclobutane;2,6-ditert-butyl-2,6-diazaspiro[3.3]heptane;1,4-ditert-butylpiperazine;1,4-ditert-butylpiperidine;1,3-ditert-butylpyrrolidine?
The canonical SMILES for 2,6-ditert-butyl-2-azaspiro[3.3]heptane;1,3-ditert-butylazetidine;1,3-ditert-butylcyclobutane;2,6-ditert-butyl-2,6-diazaspiro[3.3]heptane;1,4-ditert-butylpiperazine;1,4-ditert-butylpiperidine;1,3-ditert-butylpyrrolidine is CC(C)(C)C1CC(C(C)(C)C)C1.CC(C)(C)C1CC2(C1)CN(C(C)(C)C)C2.CC(C)(C)C1CCN(C(C)(C)C)C1.CC(C)(C)C1CCN(C(C)(C)C)CC1.CC(C)(C)C1CN(C(C)(C)C)C1.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-azaspiro[3.3]heptane;1,3-ditert-butylazetidine;1,3-ditert-butylcyclobutane;2,6-ditert-butyl-2,6-diazaspiro[3.3]heptane;1,4-ditert-butylpiperazine;1,4-ditert-butylpiperidine;1,3-ditert-butylpyrrolidine?
The InChIKey is ANAGSINFCWOTDP-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H27N.C13H26N2.C13H27N.C12H26N2.C12H25N.C12H24.C11H23N/c1-12(2,3)11-7-14(8-11)9-15(10-14)13(4,5)6;1-11(2,3)14-7-13(8-14)9-15(10-13)12(4,5)6;1-12(2,3)11-7-9-14(10-8-11)13(4,5)6;1-11(2,3)13-7-9-14(10-8-13)12(4,5)6;1-11(2,3)10-7-8-13(9-10)12(4,5)6;1-11(2,3)9-7-10(8-9)12(4,5)6;1-10(2,3)9-7-12(8-9)11(4,5)6/h11H,7-10H2,1-6H3;7-10H2,1-6H3;11H,7-10H2,1-6H3;7-10H2,1-6H3;10H,7-9H2,1-6H3;9-10H,7-8H2,1-6H3;9H,7-8H2,1-6H3.
What are the key properties of 2,6-ditert-butyl-2-azaspiro[3.3]heptane;1,3-ditert-butylazetidine;1,3-ditert-butylcyclobutane;2,6-ditert-butyl-2,6-diazaspiro[3.3]heptane;1,4-ditert-butylpiperazine;1,4-ditert-butylpiperidine;1,3-ditert-butylpyrrolidine?
2,6-ditert-butyl-2-azaspiro[3.3]heptane;1,3-ditert-butylazetidine;1,3-ditert-butylcyclobutane;2,6-ditert-butyl-2,6-diazaspiro[3.3]heptane;1,4-ditert-butylpiperazine;1,4-ditert-butylpiperidine;1,3-ditert-butylpyrrolidine has a molecular weight of 1336.44 g/mol, XLogP of 21.51, 0 rotatable bonds, 0 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 2,6-ditert-butyl-2-azaspiro[3.3]heptane;1,3-ditert-butylazetidine;1,3-ditert-butylcyclobutane;2,6-ditert-butyl-2,6-diazaspiro[3.3]heptane;1,4-ditert-butylpiperazine;1,4-ditert-butylpiperidine;1,3-ditert-butylpyrrolidine is sourced from PubChem (CID 157166922), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).