2,8-ditert-butyl-2,5,8-triazaspiro[3.5]nonane

C14H29N3 — CID 170939414

IUPAC2,8-ditert-butyl-2,5,8-triazaspiro[3.5]nonane
SMILESCC(C)(C)N1CCNC2(C1)CN(C(C)(C)C)C2
InChIInChI=1S/C14H29N3/c1-12(2,3)16-8-7-15-14(9-16)10-17(11-14)13(4,5)6/h15H,7-11H2,1-6H3
InChIKeyIGNJYUSTRFCUGQ-UHFFFAOYSA-N
MW239.41 g/mol
LogP1.54
Rot. Bonds

About 2,8-ditert-butyl-2,5,8-triazaspiro[3.5]nonane

2,8-ditert-butyl-2,5,8-triazaspiro[3.5]nonane (PubChem CID 170939414) has the molecular formula C14H29N3 and a molecular weight of 239.41 g/mol. Its IUPAC name is 2,8-ditert-butyl-2,5,8-triazaspiro[3.5]nonane.

Molecular Properties

Compound Name2,8-ditert-butyl-2,5,8-triazaspiro[3.5]nonane
PubChem CID170939414
Molecular FormulaC14H29N3
Molecular Weight239.41 g/mol
Exact Mass239.24
IUPAC Name2,8-ditert-butyl-2,5,8-triazaspiro[3.5]nonane
SMILESCC(C)(C)N1CCNC2(C1)CN(C(C)(C)C)C2
InChIInChI=1S/C14H29N3/c1-12(2,3)16-8-7-15-14(9-16)10-17(11-14)13(4,5)6/h15H,7-11H2,1-6H3
InChIKeyIGNJYUSTRFCUGQ-UHFFFAOYSA-N
XLogP1.54
TPSA18.51 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500239.41
LogP ≤ 51.54
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2,8-ditert-butyl-2,5,8-triazaspiro[3.5]nonane?
The IUPAC name of 2,8-ditert-butyl-2,5,8-triazaspiro[3.5]nonane (CID 170939414) is 2,8-ditert-butyl-2,5,8-triazaspiro[3.5]nonane.
What is the SMILES notation for 2,8-ditert-butyl-2,5,8-triazaspiro[3.5]nonane?
The canonical SMILES for 2,8-ditert-butyl-2,5,8-triazaspiro[3.5]nonane is CC(C)(C)N1CCNC2(C1)CN(C(C)(C)C)C2.
What is the InChIKey of 2,8-ditert-butyl-2,5,8-triazaspiro[3.5]nonane?
The InChIKey is IGNJYUSTRFCUGQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H29N3/c1-12(2,3)16-8-7-15-14(9-16)10-17(11-14)13(4,5)6/h15H,7-11H2,1-6H3.
What are the key properties of 2,8-ditert-butyl-2,5,8-triazaspiro[3.5]nonane?
2,8-ditert-butyl-2,5,8-triazaspiro[3.5]nonane has a molecular weight of 239.41 g/mol, XLogP of 1.54, 0 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2,8-ditert-butyl-2,5,8-triazaspiro[3.5]nonane is sourced from PubChem (CID 170939414), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).