bis(3,8-dimethyl-3,8-diazabicyclo[3.2.1]octane);bis(1,4-dimethylpiperazine)

C28H60N8 — CID 158045921

IUPACbis(3,8-dimethyl-3,8-diazabicyclo[3.2.1]octane);bis(1,4-dimethylpiperazine)
SMILESCN1CC2CCC(C1)N2C.CN1CC2CCC(C1)N2C.CN1CCN(C)CC1.CN1CCN(C)CC1
InChIInChI=1S/2C8H16N2.2C6H14N2/c2*1-9-5-7-3-4-8(6-9)10(7)2;2*1-7-3-5-8(2)6-4-7/h2*7-8H,3-6H2,1-2H3;2*3-6H2,1-2H3
InChIKeyFIXILMUVBJSEJI-UHFFFAOYSA-N
MW508.84 g/mol
LogP0.52
Rot. Bonds

About bis(3,8-dimethyl-3,8-diazabicyclo[3.2.1]octane);bis(1,4-dimethylpiperazine)

bis(3,8-dimethyl-3,8-diazabicyclo[3.2.1]octane);bis(1,4-dimethylpiperazine) (PubChem CID 158045921) has the molecular formula C28H60N8 and a molecular weight of 508.84 g/mol. Its IUPAC name is bis(3,8-dimethyl-3,8-diazabicyclo[3.2.1]octane);bis(1,4-dimethylpiperazine).

Molecular Properties

Compound Namebis(3,8-dimethyl-3,8-diazabicyclo[3.2.1]octane);bis(1,4-dimethylpiperazine)
PubChem CID158045921
Molecular FormulaC28H60N8
Molecular Weight508.84 g/mol
Exact Mass508.49
IUPAC Namebis(3,8-dimethyl-3,8-diazabicyclo[3.2.1]octane);bis(1,4-dimethylpiperazine)
SMILESCN1CC2CCC(C1)N2C.CN1CC2CCC(C1)N2C.CN1CCN(C)CC1.CN1CCN(C)CC1
InChIInChI=1S/2C8H16N2.2C6H14N2/c2*1-9-5-7-3-4-8(6-9)10(7)2;2*1-7-3-5-8(2)6-4-7/h2*7-8H,3-6H2,1-2H3;2*3-6H2,1-2H3
InChIKeyFIXILMUVBJSEJI-UHFFFAOYSA-N
XLogP0.52
TPSA25.92 Ų
H-Bond Donors
H-Bond Acceptors8
Rotatable Bonds
Heavy Atoms36
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500508.84
LogP ≤ 50.52
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 108

Analyze bis(3,8-dimethyl-3,8-diazabicyclo[3.2.1]octane);bis(1,4-dimethylpiperazine) with MolForge

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Related Compounds

6-Propan-2-yl-8-[5-(5-propan-2-yl-2,5-diazabicyclo[2.2.2]octan-2-yl)hexan-2-yl]-6,8-diazabicyclo[3.2.2]nonane
CID 138492473
6-Methyl-8-[5-(5-propan-2-yl-2,5-diazabicyclo[2.2.2]octan-2-yl)hexan-2-yl]-6,8-diazabicyclo[3.2.2]nonane
CID 138492480
8-methyl-3-[(2R,5S)-5-(8-methyl-3,8-diazabicyclo[3.2.1]octan-3-yl)hexan-2-yl]-3,8-diazabicyclo[3.2.1]octane
CID 138578590
1-Methyl-2-(piperidin-1-ylmethyl)piperidine;1-[(1-methylpyrrolidin-2-yl)methyl]piperidine;1-methyl-2-(pyrrolidin-1-ylmethyl)piperidine
CID 143456779
2,7-Di(propan-2-yl)-2,7-diazatricyclo[4.4.0.03,8]decane;9,10-di(propan-2-yl)-9,10-diazatricyclo[4.2.1.12,5]decane
CID 157572724
Bis(3,8-dimethyl-3,8-diazabicyclo[3.2.1]octane);1,4-dimethyl-1,4-diazepane;1,4-dimethylpiperazine
CID 158704976
4-Tert-butyl-2,6-dimethyl-1-propan-2-ylpiperazine;4-tert-butyl-2-methyl-1-propan-2-ylpiperazine;2-tert-butyl-5-propan-2-yl-2,5-diazabicyclo[2.2.1]heptane;1-tert-butyl-4-propan-2-yl-1,4-diazepane;1-tert-butyl-2,3,5,6-tetramethyl-4-propan-2-ylpiperazine
CID 160303441
2-(2,2-Dimethylpropyl)-5-methyl-2,5-diazabicyclo[2.2.2]octane;3-(2,2-dimethylpropyl)-8-methyl-3,8-diazabicyclo[3.2.1]octane;8-(2,2-dimethylpropyl)-3-methyl-3,8-diazabicyclo[3.2.1]octane
CID 160722860
2-propan-2-yl-3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazine;2-propan-2-yl-1,3,4,6,7,8,9,9a-octahydropyrido[1,2-a]pyrazine;3-propan-2-yl-2,4,5,7,8,9,10,10a-octahydro-1H-pyrido[1,2-d][1,4]diazepine;3-propan-2-yl-1,2,4,5,7,8,9,9a-octahydropyrrolo[1,2-d][1,4]diazepine
CID 161675910

Frequently Asked Questions

What is the IUPAC name of bis(3,8-dimethyl-3,8-diazabicyclo[3.2.1]octane);bis(1,4-dimethylpiperazine)?
The IUPAC name of bis(3,8-dimethyl-3,8-diazabicyclo[3.2.1]octane);bis(1,4-dimethylpiperazine) (CID 158045921) is bis(3,8-dimethyl-3,8-diazabicyclo[3.2.1]octane);bis(1,4-dimethylpiperazine).
What is the SMILES notation for bis(3,8-dimethyl-3,8-diazabicyclo[3.2.1]octane);bis(1,4-dimethylpiperazine)?
The canonical SMILES for bis(3,8-dimethyl-3,8-diazabicyclo[3.2.1]octane);bis(1,4-dimethylpiperazine) is CN1CC2CCC(C1)N2C.CN1CC2CCC(C1)N2C.CN1CCN(C)CC1.CN1CCN(C)CC1.
What is the InChIKey of bis(3,8-dimethyl-3,8-diazabicyclo[3.2.1]octane);bis(1,4-dimethylpiperazine)?
The InChIKey is FIXILMUVBJSEJI-UHFFFAOYSA-N. The full InChI is InChI=1S/2C8H16N2.2C6H14N2/c2*1-9-5-7-3-4-8(6-9)10(7)2;2*1-7-3-5-8(2)6-4-7/h2*7-8H,3-6H2,1-2H3;2*3-6H2,1-2H3.
What are the key properties of bis(3,8-dimethyl-3,8-diazabicyclo[3.2.1]octane);bis(1,4-dimethylpiperazine)?
bis(3,8-dimethyl-3,8-diazabicyclo[3.2.1]octane);bis(1,4-dimethylpiperazine) has a molecular weight of 508.84 g/mol, XLogP of 0.52, 0 rotatable bonds, 0 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for bis(3,8-dimethyl-3,8-diazabicyclo[3.2.1]octane);bis(1,4-dimethylpiperazine) is sourced from PubChem (CID 158045921), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).