2,8-ditert-butyl-2,8-diazaspiro[4.5]decane;2,7-ditert-butyl-2,7-diazaspiro[4.4]nonane;2,7-ditert-butyl-2,7-diazaspiro[3.4]octane

C45H90N6 — CID 157335949

IUPAC2,8-ditert-butyl-2,8-diazaspiro[4.5]decane;2,7-ditert-butyl-2,7-diazaspiro[4.4]nonane;2,7-ditert-butyl-2,7-diazaspiro[3.4]octane
SMILESCC(C)(C)N1CCC2(C1)CN(C(C)(C)C)C2.CC(C)(C)N1CCC2(CC1)CCN(C(C)(C)C)C2.CC(C)(C)N1CCC2(CCN(C(C)(C)C)C2)C1
InChIInChI=1S/C16H32N2.C15H30N2.C14H28N2/c1-14(2,3)17-10-7-16(8-11-17)9-12-18(13-16)15(4,5)6;1-13(2,3)16-9-7-15(11-16)8-10-17(12-15)14(4,5)6;1-12(2,3)15-8-7-14(9-15)10-16(11-14)13(4,5)6/h7-13H2,1-6H3;7-12H2,1-6H3;7-11H2,1-6H3
InChIKeyBFVLYMMRFSEIKL-UHFFFAOYSA-N
MW715.26 g/mol
LogP8.94
Rot. Bonds

About 2,8-ditert-butyl-2,8-diazaspiro[4.5]decane;2,7-ditert-butyl-2,7-diazaspiro[4.4]nonane;2,7-ditert-butyl-2,7-diazaspiro[3.4]octane

2,8-ditert-butyl-2,8-diazaspiro[4.5]decane;2,7-ditert-butyl-2,7-diazaspiro[4.4]nonane;2,7-ditert-butyl-2,7-diazaspiro[3.4]octane (PubChem CID 157335949) has the molecular formula C45H90N6 and a molecular weight of 715.26 g/mol. Its IUPAC name is 2,8-ditert-butyl-2,8-diazaspiro[4.5]decane;2,7-ditert-butyl-2,7-diazaspiro[4.4]nonane;2,7-ditert-butyl-2,7-diazaspiro[3.4]octane.

Molecular Properties

Compound Name2,8-ditert-butyl-2,8-diazaspiro[4.5]decane;2,7-ditert-butyl-2,7-diazaspiro[4.4]nonane;2,7-ditert-butyl-2,7-diazaspiro[3.4]octane
PubChem CID157335949
Molecular FormulaC45H90N6
Molecular Weight715.26 g/mol
Exact Mass714.72
IUPAC Name2,8-ditert-butyl-2,8-diazaspiro[4.5]decane;2,7-ditert-butyl-2,7-diazaspiro[4.4]nonane;2,7-ditert-butyl-2,7-diazaspiro[3.4]octane
SMILESCC(C)(C)N1CCC2(C1)CN(C(C)(C)C)C2.CC(C)(C)N1CCC2(CC1)CCN(C(C)(C)C)C2.CC(C)(C)N1CCC2(CCN(C(C)(C)C)C2)C1
InChIInChI=1S/C16H32N2.C15H30N2.C14H28N2/c1-14(2,3)17-10-7-16(8-11-17)9-12-18(13-16)15(4,5)6;1-13(2,3)16-9-7-15(11-16)8-10-17(12-15)14(4,5)6;1-12(2,3)15-8-7-14(9-15)10-16(11-14)13(4,5)6/h7-13H2,1-6H3;7-12H2,1-6H3;7-11H2,1-6H3
InChIKeyBFVLYMMRFSEIKL-UHFFFAOYSA-N
XLogP8.94
TPSA19.44 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds
Heavy Atoms51
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500715.26
LogP ≤ 58.94
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Analyze 2,8-ditert-butyl-2,8-diazaspiro[4.5]decane;2,7-ditert-butyl-2,7-diazaspiro[4.4]nonane;2,7-ditert-butyl-2,7-diazaspiro[3.4]octane with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2-[2,4-Dimethyl-4-(2-methyl-2,6-diazaspiro[3.4]octan-6-yl)pentan-2-yl]-8-methyl-2,8-diazaspiro[4.5]decane
CID 129149576
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
8-Tert-butyl-2,8-diazaspiro[4.5]decane;2-tert-butyl-2,7-diazaspiro[4.4]nonane;2-tert-butyl-2,7-diazaspiro[3.4]octane
CID 158019880
2,6-Di(propan-2-yl)-2,6-diazaspiro[3.3]heptane;2,7-di(propan-2-yl)-2,7-diazaspiro[3.5]nonane;2,7-di(propan-2-yl)-2,7-diazaspiro[4.4]nonane;2,7-di(propan-2-yl)-2,7-diazaspiro[3.4]octane
CID 159024555
2-Tert-butyl-7-[3-methyl-3-(2-methyl-2,7-diazaspiro[3.5]nonan-7-yl)butyl]-2,7-diazaspiro[4.4]nonane
CID 166881454

Frequently Asked Questions

What is the IUPAC name of 2,8-ditert-butyl-2,8-diazaspiro[4.5]decane;2,7-ditert-butyl-2,7-diazaspiro[4.4]nonane;2,7-ditert-butyl-2,7-diazaspiro[3.4]octane?
The IUPAC name of 2,8-ditert-butyl-2,8-diazaspiro[4.5]decane;2,7-ditert-butyl-2,7-diazaspiro[4.4]nonane;2,7-ditert-butyl-2,7-diazaspiro[3.4]octane (CID 157335949) is 2,8-ditert-butyl-2,8-diazaspiro[4.5]decane;2,7-ditert-butyl-2,7-diazaspiro[4.4]nonane;2,7-ditert-butyl-2,7-diazaspiro[3.4]octane.
What is the SMILES notation for 2,8-ditert-butyl-2,8-diazaspiro[4.5]decane;2,7-ditert-butyl-2,7-diazaspiro[4.4]nonane;2,7-ditert-butyl-2,7-diazaspiro[3.4]octane?
The canonical SMILES for 2,8-ditert-butyl-2,8-diazaspiro[4.5]decane;2,7-ditert-butyl-2,7-diazaspiro[4.4]nonane;2,7-ditert-butyl-2,7-diazaspiro[3.4]octane is CC(C)(C)N1CCC2(C1)CN(C(C)(C)C)C2.CC(C)(C)N1CCC2(CC1)CCN(C(C)(C)C)C2.CC(C)(C)N1CCC2(CCN(C(C)(C)C)C2)C1.
What is the InChIKey of 2,8-ditert-butyl-2,8-diazaspiro[4.5]decane;2,7-ditert-butyl-2,7-diazaspiro[4.4]nonane;2,7-ditert-butyl-2,7-diazaspiro[3.4]octane?
The InChIKey is BFVLYMMRFSEIKL-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H32N2.C15H30N2.C14H28N2/c1-14(2,3)17-10-7-16(8-11-17)9-12-18(13-16)15(4,5)6;1-13(2,3)16-9-7-15(11-16)8-10-17(12-15)14(4,5)6;1-12(2,3)15-8-7-14(9-15)10-16(11-14)13(4,5)6/h7-13H2,1-6H3;7-12H2,1-6H3;7-11H2,1-6H3.
What are the key properties of 2,8-ditert-butyl-2,8-diazaspiro[4.5]decane;2,7-ditert-butyl-2,7-diazaspiro[4.4]nonane;2,7-ditert-butyl-2,7-diazaspiro[3.4]octane?
2,8-ditert-butyl-2,8-diazaspiro[4.5]decane;2,7-ditert-butyl-2,7-diazaspiro[4.4]nonane;2,7-ditert-butyl-2,7-diazaspiro[3.4]octane has a molecular weight of 715.26 g/mol, XLogP of 8.94, 0 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2,8-ditert-butyl-2,8-diazaspiro[4.5]decane;2,7-ditert-butyl-2,7-diazaspiro[4.4]nonane;2,7-ditert-butyl-2,7-diazaspiro[3.4]octane is sourced from PubChem (CID 157335949), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).