2-tert-butyl-8-propan-2-yl-2,8-diazaspiro[5.5]undecane;9-tert-butyl-2-propan-2-yl-2,9-diazaspiro[5.5]undecane;3,9-ditert-butyl-3,9-diazaspiro[5.5]undecane

C49H98N6 — CID 159359347

IUPAC2-tert-butyl-8-propan-2-yl-2,8-diazaspiro[5.5]undecane;9-tert-butyl-2-propan-2-yl-2,9-diazaspiro[5.5]undecane;3,9-ditert-butyl-3,9-diazaspiro[5.5]undecane
SMILESCC(C)(C)N1CCC2(CC1)CCN(C(C)(C)C)CC2.CC(C)N1CCCC2(CCCN(C(C)(C)C)C2)C1.CC(C)N1CCCC2(CCN(C(C)(C)C)CC2)C1
InChIInChI=1S/C17H34N2.2C16H32N2/c1-15(2,3)18-11-7-17(8-12-18)9-13-19(14-10-17)16(4,5)6;1-14(2)17-10-6-8-16(12-17)9-7-11-18(13-16)15(3,4)5;1-14(2)17-10-6-7-16(13-17)8-11-18(12-9-16)15(3,4)5/h7-14H2,1-6H3;2*14H,6-13H2,1-5H3
InChIKeyLIIIDZGDVBGWIQ-UHFFFAOYSA-N
MW771.37 g/mol
LogP10.50
Rot. Bonds2

About 2-tert-butyl-8-propan-2-yl-2,8-diazaspiro[5.5]undecane;9-tert-butyl-2-propan-2-yl-2,9-diazaspiro[5.5]undecane;3,9-ditert-butyl-3,9-diazaspiro[5.5]undecane

2-tert-butyl-8-propan-2-yl-2,8-diazaspiro[5.5]undecane;9-tert-butyl-2-propan-2-yl-2,9-diazaspiro[5.5]undecane;3,9-ditert-butyl-3,9-diazaspiro[5.5]undecane (PubChem CID 159359347) has the molecular formula C49H98N6 and a molecular weight of 771.37 g/mol. Its IUPAC name is 2-tert-butyl-8-propan-2-yl-2,8-diazaspiro[5.5]undecane;9-tert-butyl-2-propan-2-yl-2,9-diazaspiro[5.5]undecane;3,9-ditert-butyl-3,9-diazaspiro[5.5]undecane.

Molecular Properties

Compound Name2-tert-butyl-8-propan-2-yl-2,8-diazaspiro[5.5]undecane;9-tert-butyl-2-propan-2-yl-2,9-diazaspiro[5.5]undecane;3,9-ditert-butyl-3,9-diazaspiro[5.5]undecane
PubChem CID159359347
Molecular FormulaC49H98N6
Molecular Weight771.37 g/mol
Exact Mass770.79
IUPAC Name2-tert-butyl-8-propan-2-yl-2,8-diazaspiro[5.5]undecane;9-tert-butyl-2-propan-2-yl-2,9-diazaspiro[5.5]undecane;3,9-ditert-butyl-3,9-diazaspiro[5.5]undecane
SMILESCC(C)(C)N1CCC2(CC1)CCN(C(C)(C)C)CC2.CC(C)N1CCCC2(CCCN(C(C)(C)C)C2)C1.CC(C)N1CCCC2(CCN(C(C)(C)C)CC2)C1
InChIInChI=1S/C17H34N2.2C16H32N2/c1-15(2,3)18-11-7-17(8-12-18)9-13-19(14-10-17)16(4,5)6;1-14(2)17-10-6-8-16(12-17)9-7-11-18(13-16)15(3,4)5;1-14(2)17-10-6-7-16(13-17)8-11-18(12-9-16)15(3,4)5/h7-14H2,1-6H3;2*14H,6-13H2,1-5H3
InChIKeyLIIIDZGDVBGWIQ-UHFFFAOYSA-N
XLogP10.50
TPSA19.44 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms55
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500771.37
LogP ≤ 510.50
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Analyze 2-tert-butyl-8-propan-2-yl-2,8-diazaspiro[5.5]undecane;9-tert-butyl-2-propan-2-yl-2,9-diazaspiro[5.5]undecane;3,9-ditert-butyl-3,9-diazaspiro[5.5]undecane with MolForge

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Launch Full Analysis

Related Compounds

1-[1,3-Bis[4-(1,1-dimethylpiperidin-1-ium-4-yl)-1-methylpiperidin-1-ium-1-yl]propan-2-yl]-4-[1-[1,3-bis[4-(1,1-dimethylpiperidin-1-ium-4-yl)-1-methylpiperidin-1-ium-1-yl]propan-2-yl]-1-methylpiperidin-1-ium-4-yl]-1-methylpiperidin-1-ium
CID 54501538
N-[8,8-dimethyl-1,1-bis(1-methylpiperidin-4-yl)nonan-2-yl]-1-methyl-N-(1-methylpiperidin-4-yl)piperidin-4-amine
CID 67680686
1-methyl-N-(1-methylpiperidin-4-yl)-N-[1,2,2-tris(1-methylpiperidin-4-yl)ethyl]piperidin-4-amine
CID 67680689
N-[2,2-bis(1-methylpiperidin-4-yl)tetradecyl]-1-methyl-N-(1-methylpiperidin-4-yl)piperidin-4-amine
CID 67680708
1-tert-butyl-4-[1-[5-[4-[(3R)-1-(2,2-dimethylpropyl)-3-methylpiperidin-4-yl]piperazin-1-yl]-2,2,5-trimethylhexyl]piperidin-4-yl]piperazine
CID 134339698
3,9-Dimethyl-4-[1-methyl-4-(2-piperidin-1-ylethyl)piperazin-2-yl]-3,9-diazaspiro[5.5]undecane
CID 134591073
1-Tert-butyl-4-[1-[5-[4-(4-cyclopropylpiperazin-1-yl)piperidin-1-yl]-2-[2-[4-(4-ethylpiperazin-1-yl)piperidin-1-yl]propan-2-yl]-3,4,5-trimethyl-3-[4-(4-methylpiperazin-1-yl)piperidin-1-yl]-4-[4-(4-propan-2-ylpiperazin-1-yl)piperidin-1-yl]hexan-2-yl]piperidin-4-yl]piperazine
CID 146369195
3-Tert-butyl-9-[[1-tert-butyl-2-[2-[4-[(8-tert-butyl-2,8-diazaspiro[4.5]decan-2-yl)methyl]piperidin-1-yl]-2-methylpropyl]piperidin-4-yl]methyl]-3,9-diazaspiro[5.5]undecane
CID 146548378
(2R,6S)-1-tert-butyl-2-[2-[1-tert-butyl-4-(1-tert-butylpiperidin-4-yl)-6-methylpiperazin-2-yl]ethyl]-4-[1-[5-[4-[1-(2,2-dimethylpropyl)piperidin-4-yl]-2,6-dimethylpiperazin-1-yl]-2,5-dimethylhexan-2-yl]piperidin-4-yl]-6-methylpiperazine
CID 146549605
(2S,6R)-1-tert-butyl-2-[2-[(2R,6S)-1-tert-butyl-6-[2-[(2R,6R)-1-tert-butyl-4-(1-tert-butylpiperidin-4-yl)-6-methylpiperazin-2-yl]ethyl]-4-[1-(2,2-dimethylpropyl)piperidin-4-yl]piperazin-2-yl]ethyl]-4-(1-tert-butylpiperidin-4-yl)-6-methylpiperazine
CID 146549768
1-[2,4-Dimethyl-4-(1-methylpiperidin-4-yl)pentan-2-yl]-4-(2,3,3-trimethylpentan-2-yl)piperazine;1-[2,4-dimethyl-4-[4-(2,3,3-trimethylpentan-2-yl)piperidin-1-yl]pentan-2-yl]-4-methylpiperazine;ethane;methane;2-methylpropane
CID 153398691
1-(4,4-Dimethylhexan-2-yl)-4-[2,4-dimethyl-4-(1-methylpiperidin-4-yl)pentan-2-yl]piperazine;1-[2,4-dimethyl-4-[4-(2,3,3-trimethylpentan-2-yl)piperidin-1-yl]pentan-2-yl]-4-methylpiperazine;ethane;methane
CID 153544209

Frequently Asked Questions

What is the IUPAC name of 2-tert-butyl-8-propan-2-yl-2,8-diazaspiro[5.5]undecane;9-tert-butyl-2-propan-2-yl-2,9-diazaspiro[5.5]undecane;3,9-ditert-butyl-3,9-diazaspiro[5.5]undecane?
The IUPAC name of 2-tert-butyl-8-propan-2-yl-2,8-diazaspiro[5.5]undecane;9-tert-butyl-2-propan-2-yl-2,9-diazaspiro[5.5]undecane;3,9-ditert-butyl-3,9-diazaspiro[5.5]undecane (CID 159359347) is 2-tert-butyl-8-propan-2-yl-2,8-diazaspiro[5.5]undecane;9-tert-butyl-2-propan-2-yl-2,9-diazaspiro[5.5]undecane;3,9-ditert-butyl-3,9-diazaspiro[5.5]undecane.
What is the SMILES notation for 2-tert-butyl-8-propan-2-yl-2,8-diazaspiro[5.5]undecane;9-tert-butyl-2-propan-2-yl-2,9-diazaspiro[5.5]undecane;3,9-ditert-butyl-3,9-diazaspiro[5.5]undecane?
The canonical SMILES for 2-tert-butyl-8-propan-2-yl-2,8-diazaspiro[5.5]undecane;9-tert-butyl-2-propan-2-yl-2,9-diazaspiro[5.5]undecane;3,9-ditert-butyl-3,9-diazaspiro[5.5]undecane is CC(C)(C)N1CCC2(CC1)CCN(C(C)(C)C)CC2.CC(C)N1CCCC2(CCCN(C(C)(C)C)C2)C1.CC(C)N1CCCC2(CCN(C(C)(C)C)CC2)C1.
What is the InChIKey of 2-tert-butyl-8-propan-2-yl-2,8-diazaspiro[5.5]undecane;9-tert-butyl-2-propan-2-yl-2,9-diazaspiro[5.5]undecane;3,9-ditert-butyl-3,9-diazaspiro[5.5]undecane?
The InChIKey is LIIIDZGDVBGWIQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H34N2.2C16H32N2/c1-15(2,3)18-11-7-17(8-12-18)9-13-19(14-10-17)16(4,5)6;1-14(2)17-10-6-8-16(12-17)9-7-11-18(13-16)15(3,4)5;1-14(2)17-10-6-7-16(13-17)8-11-18(12-9-16)15(3,4)5/h7-14H2,1-6H3;2*14H,6-13H2,1-5H3.
What are the key properties of 2-tert-butyl-8-propan-2-yl-2,8-diazaspiro[5.5]undecane;9-tert-butyl-2-propan-2-yl-2,9-diazaspiro[5.5]undecane;3,9-ditert-butyl-3,9-diazaspiro[5.5]undecane?
2-tert-butyl-8-propan-2-yl-2,8-diazaspiro[5.5]undecane;9-tert-butyl-2-propan-2-yl-2,9-diazaspiro[5.5]undecane;3,9-ditert-butyl-3,9-diazaspiro[5.5]undecane has a molecular weight of 771.37 g/mol, XLogP of 10.50, 2 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-tert-butyl-8-propan-2-yl-2,8-diazaspiro[5.5]undecane;9-tert-butyl-2-propan-2-yl-2,9-diazaspiro[5.5]undecane;3,9-ditert-butyl-3,9-diazaspiro[5.5]undecane is sourced from PubChem (CID 159359347), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).