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

C29H62N8 — CID 158704976

IUPACbis(3,8-dimethyl-3,8-diazabicyclo[3.2.1]octane);1,4-dimethyl-1,4-diazepane;1,4-dimethylpiperazine
SMILESCN1CC2CCC(C1)N2C.CN1CC2CCC(C1)N2C.CN1CCCN(C)CC1.CN1CCN(C)CC1
InChIInChI=1S/2C8H16N2.C7H16N2.C6H14N2/c2*1-9-5-7-3-4-8(6-9)10(7)2;1-8-4-3-5-9(2)7-6-8;1-7-3-5-8(2)6-4-7/h2*7-8H,3-6H2,1-2H3;3-7H2,1-2H3;3-6H2,1-2H3
InChIKeyIHZRAICJZVQONE-UHFFFAOYSA-N
MW522.87 g/mol
LogP0.91
Rot. Bonds

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

bis(3,8-dimethyl-3,8-diazabicyclo[3.2.1]octane);1,4-dimethyl-1,4-diazepane;1,4-dimethylpiperazine (PubChem CID 158704976) has the molecular formula C29H62N8 and a molecular weight of 522.87 g/mol. Its IUPAC name is bis(3,8-dimethyl-3,8-diazabicyclo[3.2.1]octane);1,4-dimethyl-1,4-diazepane;1,4-dimethylpiperazine.

Molecular Properties

Compound Namebis(3,8-dimethyl-3,8-diazabicyclo[3.2.1]octane);1,4-dimethyl-1,4-diazepane;1,4-dimethylpiperazine
PubChem CID158704976
Molecular FormulaC29H62N8
Molecular Weight522.87 g/mol
Exact Mass522.51
IUPAC Namebis(3,8-dimethyl-3,8-diazabicyclo[3.2.1]octane);1,4-dimethyl-1,4-diazepane;1,4-dimethylpiperazine
SMILESCN1CC2CCC(C1)N2C.CN1CC2CCC(C1)N2C.CN1CCCN(C)CC1.CN1CCN(C)CC1
InChIInChI=1S/2C8H16N2.C7H16N2.C6H14N2/c2*1-9-5-7-3-4-8(6-9)10(7)2;1-8-4-3-5-9(2)7-6-8;1-7-3-5-8(2)6-4-7/h2*7-8H,3-6H2,1-2H3;3-7H2,1-2H3;3-6H2,1-2H3
InChIKeyIHZRAICJZVQONE-UHFFFAOYSA-N
XLogP0.91
TPSA25.92 Ų
H-Bond Donors
H-Bond Acceptors8
Rotatable Bonds
Heavy Atoms37
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500522.87
LogP ≤ 50.91
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 108

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

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Launch Full Analysis

Related Compounds

2-[2-(4-Methylpiperazin-1-yl)ethyl]-5-[2-(2,4,5-trimethylpiperazin-1-yl)ethyl]-2,5-diazabicyclo[2.2.1]heptane
CID 123807053
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
Methane;4-propan-2-yl-1,4-diazabicyclo[3.2.2]nonane;4-propan-2-yl-1,4-diazabicyclo[3.2.1]octane
CID 157360327
2,6-Ditert-butyl-2,6-diazabicyclo[3.2.2]nonane;2,6-ditert-butyl-2,6-diazabicyclo[3.2.1]octane;3,6-ditert-butyl-3,6-diazabicyclo[3.2.1]octane
CID 157530196
Carbanide;2,5-dimethyl-2,5-diazabicyclo[2.2.1]heptane;bis(3,8-dimethyl-3,8-diazabicyclo[3.2.1]octane);tungsten(2+)
CID 157580864
Bis(3,8-dimethyl-3,8-diazabicyclo[3.2.1]octane);bis(1,4-dimethylpiperazine)
CID 158045921
Carbanide;2,5-dimethyl-2,5-diazabicyclo[2.2.1]heptane;bis(3,8-dimethyl-3,8-diazabicyclo[3.2.1]octane);methane;tungsten(2+)
CID 159388087
4-Propan-2-yl-1,4-diazabicyclo[3.2.2]nonane;4-propan-2-yl-1,4-diazabicyclo[3.2.1]octane
CID 160186027
3,8-Bis(2-methylpropyl)-3,8-diazabicyclo[3.2.1]octane;ethane;8-methyl-3,8-bis(2-methylpropyl)-3-aza-8-azoniabicyclo[3.2.1]octane
CID 161326404
1-methylazepane;(1S,4S)-2-methyl-2,5-diazabicyclo[2.2.1]heptane;1-methyl-1,4-diazepane;1-methylpiperazine;1-methylpiperidine;1-methylpyrrolidine
CID 161645559
1-Tert-butylazepane;1-tert-butyl-4-methyl-1,4-diazepane;1-tert-butyl-4-methylpiperazine;bis(1-tert-butylpiperidine);1-tert-butylpyrrolidine
CID 165040220
4-[1-(4-Ethyl-1,4-diazabicyclo[3.2.1]octan-2-yl)propan-2-yl]-1,4-diazabicyclo[3.2.2]nonane
CID 166723896

Frequently Asked Questions

What is the IUPAC name of bis(3,8-dimethyl-3,8-diazabicyclo[3.2.1]octane);1,4-dimethyl-1,4-diazepane;1,4-dimethylpiperazine?
The IUPAC name of bis(3,8-dimethyl-3,8-diazabicyclo[3.2.1]octane);1,4-dimethyl-1,4-diazepane;1,4-dimethylpiperazine (CID 158704976) is bis(3,8-dimethyl-3,8-diazabicyclo[3.2.1]octane);1,4-dimethyl-1,4-diazepane;1,4-dimethylpiperazine.
What is the SMILES notation for bis(3,8-dimethyl-3,8-diazabicyclo[3.2.1]octane);1,4-dimethyl-1,4-diazepane;1,4-dimethylpiperazine?
The canonical SMILES for bis(3,8-dimethyl-3,8-diazabicyclo[3.2.1]octane);1,4-dimethyl-1,4-diazepane;1,4-dimethylpiperazine is CN1CC2CCC(C1)N2C.CN1CC2CCC(C1)N2C.CN1CCCN(C)CC1.CN1CCN(C)CC1.
What is the InChIKey of bis(3,8-dimethyl-3,8-diazabicyclo[3.2.1]octane);1,4-dimethyl-1,4-diazepane;1,4-dimethylpiperazine?
The InChIKey is IHZRAICJZVQONE-UHFFFAOYSA-N. The full InChI is InChI=1S/2C8H16N2.C7H16N2.C6H14N2/c2*1-9-5-7-3-4-8(6-9)10(7)2;1-8-4-3-5-9(2)7-6-8;1-7-3-5-8(2)6-4-7/h2*7-8H,3-6H2,1-2H3;3-7H2,1-2H3;3-6H2,1-2H3.
What are the key properties of bis(3,8-dimethyl-3,8-diazabicyclo[3.2.1]octane);1,4-dimethyl-1,4-diazepane;1,4-dimethylpiperazine?
bis(3,8-dimethyl-3,8-diazabicyclo[3.2.1]octane);1,4-dimethyl-1,4-diazepane;1,4-dimethylpiperazine has a molecular weight of 522.87 g/mol, XLogP of 0.91, 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);1,4-dimethyl-1,4-diazepane;1,4-dimethylpiperazine is sourced from PubChem (CID 158704976), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).