8-tert-butyl-2-propan-2-yl-2,8-diazaspiro[4.5]decane;2,8-ditert-butyl-2,8-diazaspiro[4.5]decane;bis(2,6-ditert-butyl-2,6-diazaspiro[3.3]heptane);2,7-ditert-butyl-2,7-diazaspiro[3.5]nonane;bis(3,9-ditert-butyl-3,9-diazaspiro[5.5]undecane)

C106H212N14 — CID 164953094

IUPAC8-tert-butyl-2-propan-2-yl-2,8-diazaspiro[4.5]decane;2,8-ditert-butyl-2,8-diazaspiro[4.5]decane;bis(2,6-ditert-butyl-2,6-diazaspiro[3.3]heptane);2,7-ditert-butyl-2,7-diazaspiro[3.5]nonane;bis(3,9-ditert-butyl-3,9-diazaspiro[5.5]undecane)
SMILESCC(C)(C)N1CC2(C1)CN(C(C)(C)C)C2.CC(C)(C)N1CC2(C1)CN(C(C)(C)C)C2.CC(C)(C)N1CCC2(CC1)CCN(C(C)(C)C)C2.CC(C)(C)N1CCC2(CC1)CCN(C(C)(C)C)CC2.CC(C)(C)N1CCC2(CC1)CCN(C(C)(C)C)CC2.CC(C)(C)N1CCC2(CC1)CN(C(C)(C)C)C2.CC(C)N1CCC2(CCN(C(C)(C)C)CC2)C1
InChIInChI=1S/2C17H34N2.C16H32N2.2C15H30N2.2C13H26N2/c2*1-15(2,3)18-11-7-17(8-12-18)9-13-19(14-10-17)16(4,5)6;1-14(2,3)17-10-7-16(8-11-17)9-12-18(13-16)15(4,5)6;1-13(2,3)16-9-7-15(8-10-16)11-17(12-15)14(4,5)6;1-13(2)16-9-6-15(12-16)7-10-17(11-8-15)14(3,4)5;2*1-11(2,3)14-7-13(8-14)9-15(10-13)12(4,5)6/h2*7-14H2,1-6H3;7-13H2,1-6H3;7-12H2,1-6H3;13H,6-12H2,1-5H3;2*7-10H2,1-6H3
InChIKeyAUMBCVAXNWTWTD-UHFFFAOYSA-N
MW1682.96 g/mol
LogP21.26
Rot. Bonds1

About 8-tert-butyl-2-propan-2-yl-2,8-diazaspiro[4.5]decane;2,8-ditert-butyl-2,8-diazaspiro[4.5]decane;bis(2,6-ditert-butyl-2,6-diazaspiro[3.3]heptane);2,7-ditert-butyl-2,7-diazaspiro[3.5]nonane;bis(3,9-ditert-butyl-3,9-diazaspiro[5.5]undecane)

8-tert-butyl-2-propan-2-yl-2,8-diazaspiro[4.5]decane;2,8-ditert-butyl-2,8-diazaspiro[4.5]decane;bis(2,6-ditert-butyl-2,6-diazaspiro[3.3]heptane);2,7-ditert-butyl-2,7-diazaspiro[3.5]nonane;bis(3,9-ditert-butyl-3,9-diazaspiro[5.5]undecane) (PubChem CID 164953094) has the molecular formula C106H212N14 and a molecular weight of 1682.96 g/mol. Its IUPAC name is 8-tert-butyl-2-propan-2-yl-2,8-diazaspiro[4.5]decane;2,8-ditert-butyl-2,8-diazaspiro[4.5]decane;bis(2,6-ditert-butyl-2,6-diazaspiro[3.3]heptane);2,7-ditert-butyl-2,7-diazaspiro[3.5]nonane;bis(3,9-ditert-butyl-3,9-diazaspiro[5.5]undecane).

Molecular Properties

Compound Name8-tert-butyl-2-propan-2-yl-2,8-diazaspiro[4.5]decane;2,8-ditert-butyl-2,8-diazaspiro[4.5]decane;bis(2,6-ditert-butyl-2,6-diazaspiro[3.3]heptane);2,7-ditert-butyl-2,7-diazaspiro[3.5]nonane;bis(3,9-ditert-butyl-3,9-diazaspiro[5.5]undecane)
PubChem CID164953094
Molecular FormulaC106H212N14
Molecular Weight1682.96 g/mol
Exact Mass1681.70
IUPAC Name8-tert-butyl-2-propan-2-yl-2,8-diazaspiro[4.5]decane;2,8-ditert-butyl-2,8-diazaspiro[4.5]decane;bis(2,6-ditert-butyl-2,6-diazaspiro[3.3]heptane);2,7-ditert-butyl-2,7-diazaspiro[3.5]nonane;bis(3,9-ditert-butyl-3,9-diazaspiro[5.5]undecane)
SMILESCC(C)(C)N1CC2(C1)CN(C(C)(C)C)C2.CC(C)(C)N1CC2(C1)CN(C(C)(C)C)C2.CC(C)(C)N1CCC2(CC1)CCN(C(C)(C)C)C2.CC(C)(C)N1CCC2(CC1)CCN(C(C)(C)C)CC2.CC(C)(C)N1CCC2(CC1)CCN(C(C)(C)C)CC2.CC(C)(C)N1CCC2(CC1)CN(C(C)(C)C)C2.CC(C)N1CCC2(CCN(C(C)(C)C)CC2)C1
InChIInChI=1S/2C17H34N2.C16H32N2.2C15H30N2.2C13H26N2/c2*1-15(2,3)18-11-7-17(8-12-18)9-13-19(14-10-17)16(4,5)6;1-14(2,3)17-10-7-16(8-11-17)9-12-18(13-16)15(4,5)6;1-13(2,3)16-9-7-15(8-10-16)11-17(12-15)14(4,5)6;1-13(2)16-9-6-15(12-16)7-10-17(11-8-15)14(3,4)5;2*1-11(2,3)14-7-13(8-14)9-15(10-13)12(4,5)6/h2*7-14H2,1-6H3;7-13H2,1-6H3;7-12H2,1-6H3;13H,6-12H2,1-5H3;2*7-10H2,1-6H3
InChIKeyAUMBCVAXNWTWTD-UHFFFAOYSA-N
XLogP21.26
TPSA45.36 Ų
H-Bond Donors
H-Bond Acceptors14
Rotatable Bonds1
Heavy Atoms120
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5001682.96
LogP ≤ 521.26
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 1014

Analyze 8-tert-butyl-2-propan-2-yl-2,8-diazaspiro[4.5]decane;2,8-ditert-butyl-2,8-diazaspiro[4.5]decane;bis(2,6-ditert-butyl-2,6-diazaspiro[3.3]heptane);2,7-ditert-butyl-2,7-diazaspiro[3.5]nonane;bis(3,9-ditert-butyl-3,9-diazaspiro[5.5]undecane) with MolForge

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Related Compounds

2,5-Dimethyl-2,5-diazabicyclo[2.2.1]heptane;bis(3,6-dimethyl-3,6-diazabicyclo[3.1.1]heptane);methane
CID 157582080
1,3-Dimethylazetidine;1,3-dimethylpiperidine;1,4-dimethylpiperidine;1,3-dimethylpyrrolidine;1-ethyl-3-methylazetidine;1-ethyl-3-methylpiperidine;1-ethyl-4-methylpiperidine;1-ethyl-3-methylpyrrolidine;methane;3-methyl-1-propan-2-ylazetidine;3-methyl-1-propan-2-ylpiperidine;molecular fluorine
CID 158043701
Bis(1-tert-butyl-4-[(3-tert-butylazetidin-1-yl)methyl]piperidine);3-tert-butyl-9-(2,2-dimethylpropyl)-3,9-diazaspiro[5.5]undecane;3,9-ditert-butyl-3,9-diazaspiro[5.5]undecane
CID 158149543
bis(1-tert-butyl-4-[(1-tert-butylazetidin-3-yl)methyl]piperidine);bis(1-tert-butyl-4-[(3-tert-butylazetidin-1-yl)methyl]piperidine);bis(4-tert-butyl-1-[(1-tert-butylazetidin-3-yl)methyl]piperidine);bis(1-tert-butyl-4-[(4-tert-butylpiperidin-1-yl)methyl]piperidine);bis(4-tert-butyl-1-[[(3S)-1-tert-butylpyrrolidin-3-yl]methyl]piperidine);bis(4-tert-butyl-1-[[(3R)-1-tert-butylpyrrolidin-3-yl]methyl]piperidine)
CID 158176484
bis(1-tert-butyl-4-[2-(1-tert-butylazetidin-3-yl)ethyl]piperazine);1-tert-butyl-4-[2-(1-tert-butylpiperidin-4-yl)ethyl]piperazine;1-tert-butyl-4-[2-(4-tert-butylpiperidin-1-yl)ethyl]piperidine;1-tert-butyl-4-[[(3S)-1-tert-butylpiperidin-3-yl]methyl]piperazine;1-tert-butyl-4-[[(3R)-1-tert-butylpyrrolidin-3-yl]methyl]piperazine;4-tert-butyl-1-[[(3S)-1-tert-butylpyrrolidin-3-yl]methyl]piperidine;1,4-ditert-butylpiperidine
CID 158564155
2,5-Dimethyl-2,5-diazabicyclo[2.2.1]heptane;bis(3,6-dimethyl-3,6-diazabicyclo[3.1.1]heptane)
CID 159096465
2-tert-butyl-6-[(1-tert-butyl-4-methylpiperidin-4-yl)methyl]-2,6-diazaspiro[3.3]heptane;bis(2-tert-butyl-6-[(1-tert-butylpiperidin-4-yl)methyl]-3-methyl-2,6-diazaspiro[3.3]heptane);bis((3R)-2-tert-butyl-6-[(1-tert-butylpiperidin-4-yl)methyl]-3-methyl-2,6-diazaspiro[3.3]heptane);bis((3S)-2-tert-butyl-6-[(1-tert-butylpiperidin-4-yl)methyl]-3-methyl-2,6-diazaspiro[3.3]heptane);(3R)-6-tert-butyl-2-[(1-tert-butylpiperidin-4-yl)methyl]-3-methyl-2,6-diazaspiro[3.3]heptane;(3S)-6-tert-butyl-2-[(1-tert-butylpiperidin-4-yl)methyl]-3-methyl-2,6-diazaspiro[3.3]heptane;6-tert-butyl-2-[(1-tert-butylpiperidin-4-yl)methyl]-3-methyl-2,6-diazaspiro[3.3]heptane
CID 159401765
2-Tert-butyl-9-methyl-2,9-diazaspiro[4.5]decane;bis(7-tert-butyl-1-methyl-1,7-diazaspiro[3.5]nonane);6-tert-butyl-1-methyl-1,6-diazaspiro[2.5]octane;2-methyl-7-propan-2-yl-2,7-diazaspiro[3.5]nonane
CID 159608293
tetrakis(1-tert-butyl-3-methylazetidine);(3R)-1-tert-butyl-3-methylpyrrolidine;(3S)-1-tert-butyl-3-methylpyrrolidine;3,9-ditert-butyl-3,9-diazaspiro[5.5]undecane;1,4-ditert-butyl-4-methylpiperidine;bis(1,4-ditert-butylpiperidine);ethane
CID 159633091
2-Tert-butyl-7-propan-2-yl-2,7-diazaspiro[3.5]nonane;2,5-ditert-butyl-1,3,3a,4,6,6a-hexahydropyrrolo[3,4-c]pyrrole;2,8-ditert-butyl-2,8-diazaspiro[4.5]decane;2,6-ditert-butyl-2,6-diazaspiro[3.3]heptane;2,8-ditert-butyl-2,8-diazaspiro[3.5]nonane;2,9-ditert-butyl-2,9-diazaspiro[5.5]undecane;3,9-ditert-butyl-3,9-diazaspiro[5.5]undecane
CID 159715575
1-(2,2-dimethylpropyl)-N,N-dimethylpiperidin-4-amine;2-(2,2-dimethylpropyl)-5-methyl-2,5-diazabicyclo[2.2.1]heptane;7-(2,2-dimethylpropyl)-2-methyl-2,7-diazaspiro[3.5]nonane;1-(2,2-dimethylpropyl)-4-methylpiperazine
CID 159885663
6-Tert-butyl-1-methyl-1,6-diazaspiro[2.5]octane;1-methyl-9-propan-2-yl-1,9-diazaspiro[4.5]decane;2-methyl-6-propan-2-yl-2,6-diazaspiro[3.4]octane;2-methyl-9-propan-2-yl-2,9-diazaspiro[5.5]undecane;9-methyl-2-propan-2-yl-2,9-diazaspiro[5.5]undecane;9-methyl-3-propan-2-yl-3,9-diazaspiro[5.5]undecane
CID 159887633

Frequently Asked Questions

What is the IUPAC name of 8-tert-butyl-2-propan-2-yl-2,8-diazaspiro[4.5]decane;2,8-ditert-butyl-2,8-diazaspiro[4.5]decane;bis(2,6-ditert-butyl-2,6-diazaspiro[3.3]heptane);2,7-ditert-butyl-2,7-diazaspiro[3.5]nonane;bis(3,9-ditert-butyl-3,9-diazaspiro[5.5]undecane)?
The IUPAC name of 8-tert-butyl-2-propan-2-yl-2,8-diazaspiro[4.5]decane;2,8-ditert-butyl-2,8-diazaspiro[4.5]decane;bis(2,6-ditert-butyl-2,6-diazaspiro[3.3]heptane);2,7-ditert-butyl-2,7-diazaspiro[3.5]nonane;bis(3,9-ditert-butyl-3,9-diazaspiro[5.5]undecane) (CID 164953094) is 8-tert-butyl-2-propan-2-yl-2,8-diazaspiro[4.5]decane;2,8-ditert-butyl-2,8-diazaspiro[4.5]decane;bis(2,6-ditert-butyl-2,6-diazaspiro[3.3]heptane);2,7-ditert-butyl-2,7-diazaspiro[3.5]nonane;bis(3,9-ditert-butyl-3,9-diazaspiro[5.5]undecane).
What is the SMILES notation for 8-tert-butyl-2-propan-2-yl-2,8-diazaspiro[4.5]decane;2,8-ditert-butyl-2,8-diazaspiro[4.5]decane;bis(2,6-ditert-butyl-2,6-diazaspiro[3.3]heptane);2,7-ditert-butyl-2,7-diazaspiro[3.5]nonane;bis(3,9-ditert-butyl-3,9-diazaspiro[5.5]undecane)?
The canonical SMILES for 8-tert-butyl-2-propan-2-yl-2,8-diazaspiro[4.5]decane;2,8-ditert-butyl-2,8-diazaspiro[4.5]decane;bis(2,6-ditert-butyl-2,6-diazaspiro[3.3]heptane);2,7-ditert-butyl-2,7-diazaspiro[3.5]nonane;bis(3,9-ditert-butyl-3,9-diazaspiro[5.5]undecane) is CC(C)(C)N1CC2(C1)CN(C(C)(C)C)C2.CC(C)(C)N1CC2(C1)CN(C(C)(C)C)C2.CC(C)(C)N1CCC2(CC1)CCN(C(C)(C)C)C2.CC(C)(C)N1CCC2(CC1)CCN(C(C)(C)C)CC2.CC(C)(C)N1CCC2(CC1)CCN(C(C)(C)C)CC2.CC(C)(C)N1CCC2(CC1)CN(C(C)(C)C)C2.CC(C)N1CCC2(CCN(C(C)(C)C)CC2)C1.
What is the InChIKey of 8-tert-butyl-2-propan-2-yl-2,8-diazaspiro[4.5]decane;2,8-ditert-butyl-2,8-diazaspiro[4.5]decane;bis(2,6-ditert-butyl-2,6-diazaspiro[3.3]heptane);2,7-ditert-butyl-2,7-diazaspiro[3.5]nonane;bis(3,9-ditert-butyl-3,9-diazaspiro[5.5]undecane)?
The InChIKey is AUMBCVAXNWTWTD-UHFFFAOYSA-N. The full InChI is InChI=1S/2C17H34N2.C16H32N2.2C15H30N2.2C13H26N2/c2*1-15(2,3)18-11-7-17(8-12-18)9-13-19(14-10-17)16(4,5)6;1-14(2,3)17-10-7-16(8-11-17)9-12-18(13-16)15(4,5)6;1-13(2,3)16-9-7-15(8-10-16)11-17(12-15)14(4,5)6;1-13(2)16-9-6-15(12-16)7-10-17(11-8-15)14(3,4)5;2*1-11(2,3)14-7-13(8-14)9-15(10-13)12(4,5)6/h2*7-14H2,1-6H3;7-13H2,1-6H3;7-12H2,1-6H3;13H,6-12H2,1-5H3;2*7-10H2,1-6H3.
What are the key properties of 8-tert-butyl-2-propan-2-yl-2,8-diazaspiro[4.5]decane;2,8-ditert-butyl-2,8-diazaspiro[4.5]decane;bis(2,6-ditert-butyl-2,6-diazaspiro[3.3]heptane);2,7-ditert-butyl-2,7-diazaspiro[3.5]nonane;bis(3,9-ditert-butyl-3,9-diazaspiro[5.5]undecane)?
8-tert-butyl-2-propan-2-yl-2,8-diazaspiro[4.5]decane;2,8-ditert-butyl-2,8-diazaspiro[4.5]decane;bis(2,6-ditert-butyl-2,6-diazaspiro[3.3]heptane);2,7-ditert-butyl-2,7-diazaspiro[3.5]nonane;bis(3,9-ditert-butyl-3,9-diazaspiro[5.5]undecane) has a molecular weight of 1682.96 g/mol, XLogP of 21.26, 1 rotatable bonds, 0 hydrogen bond donors, and 14 hydrogen bond acceptors.
Where does this data come from?
All data for 8-tert-butyl-2-propan-2-yl-2,8-diazaspiro[4.5]decane;2,8-ditert-butyl-2,8-diazaspiro[4.5]decane;bis(2,6-ditert-butyl-2,6-diazaspiro[3.3]heptane);2,7-ditert-butyl-2,7-diazaspiro[3.5]nonane;bis(3,9-ditert-butyl-3,9-diazaspiro[5.5]undecane) is sourced from PubChem (CID 164953094), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).