2,5-dimethyl-2,5-diazabicyclo[2.2.1]heptane;2,5-dimethyl-2,5-diazabicyclo[2.2.2]octane;3,8-dimethyl-3,8-diazabicyclo[3.2.1]octane

C23H46N6 — CID 159475883

IUPAC2,5-dimethyl-2,5-diazabicyclo[2.2.1]heptane;2,5-dimethyl-2,5-diazabicyclo[2.2.2]octane;3,8-dimethyl-3,8-diazabicyclo[3.2.1]octane
SMILESCN1CC2CC1CN2C.CN1CC2CCC(C1)N2C.CN1CC2CCC1CN2C
InChIInChI=1S/2C8H16N2.C7H14N2/c1-9-5-8-4-3-7(9)6-10(8)2;1-9-5-7-3-4-8(6-9)10(7)2;1-8-4-7-3-6(8)5-9(7)2/h2*7-8H,3-6H2,1-2H3;6-7H,3-5H2,1-2H3
InChIKeyLWJKKMHRZBLDDC-UHFFFAOYSA-N
MW406.66 g/mol
LogP0.79
Rot. Bonds

About 2,5-dimethyl-2,5-diazabicyclo[2.2.1]heptane;2,5-dimethyl-2,5-diazabicyclo[2.2.2]octane;3,8-dimethyl-3,8-diazabicyclo[3.2.1]octane

2,5-dimethyl-2,5-diazabicyclo[2.2.1]heptane;2,5-dimethyl-2,5-diazabicyclo[2.2.2]octane;3,8-dimethyl-3,8-diazabicyclo[3.2.1]octane (PubChem CID 159475883) has the molecular formula C23H46N6 and a molecular weight of 406.66 g/mol. Its IUPAC name is 2,5-dimethyl-2,5-diazabicyclo[2.2.1]heptane;2,5-dimethyl-2,5-diazabicyclo[2.2.2]octane;3,8-dimethyl-3,8-diazabicyclo[3.2.1]octane.

Molecular Properties

Compound Name2,5-dimethyl-2,5-diazabicyclo[2.2.1]heptane;2,5-dimethyl-2,5-diazabicyclo[2.2.2]octane;3,8-dimethyl-3,8-diazabicyclo[3.2.1]octane
PubChem CID159475883
Molecular FormulaC23H46N6
Molecular Weight406.66 g/mol
Exact Mass406.38
IUPAC Name2,5-dimethyl-2,5-diazabicyclo[2.2.1]heptane;2,5-dimethyl-2,5-diazabicyclo[2.2.2]octane;3,8-dimethyl-3,8-diazabicyclo[3.2.1]octane
SMILESCN1CC2CC1CN2C.CN1CC2CCC(C1)N2C.CN1CC2CCC1CN2C
InChIInChI=1S/2C8H16N2.C7H14N2/c1-9-5-8-4-3-7(9)6-10(8)2;1-9-5-7-3-4-8(6-9)10(7)2;1-8-4-7-3-6(8)5-9(7)2/h2*7-8H,3-6H2,1-2H3;6-7H,3-5H2,1-2H3
InChIKeyLWJKKMHRZBLDDC-UHFFFAOYSA-N
XLogP0.79
TPSA19.44 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500406.66
LogP ≤ 50.79
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Analyze 2,5-dimethyl-2,5-diazabicyclo[2.2.1]heptane;2,5-dimethyl-2,5-diazabicyclo[2.2.2]octane;3,8-dimethyl-3,8-diazabicyclo[3.2.1]octane with MolForge

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Related Compounds

8-Ethyl-3-[5-(5-ethyl-2,5-diazabicyclo[2.2.1]heptan-2-yl)hexan-2-yl]-3,8-diazabicyclo[3.2.1]octane
CID 129100657
3-Ethyl-8-[5-(5-propan-2-yl-2,5-diazabicyclo[2.2.1]heptan-2-yl)hexan-2-yl]-3,8-diazabicyclo[3.2.1]octane
CID 130379265
2,5-Diazabicyclo[2.2.1]heptane;2,5-diazabicyclo[2.2.2]octane;3,8-diazabicyclo[3.2.1]octane
CID 157052013
1,1-dimethyl-4-propan-2-ylpiperazin-1-ium;N,N-dimethyl-1-propan-2-ylpiperidin-4-amine;N,N-dimethyl-1-propan-2-ylpyrrolidin-3-amine;1,4-di(propan-2-yl)piperazine;1-methyl-4-propan-2-ylpiperazine;bis(1-propan-2-ylpiperidine);1-propan-2-ylpyrrolidine
CID 157291580
2-Methyl-5-propan-2-yl-2,5-diazabicyclo[2.2.1]heptane;8-methyl-3-propan-2-yl-3,8-diazabicyclo[3.2.1]octane
CID 157520780
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
1,4-diethylpiperazine;1-ethyl-N,N-dimethylpiperidin-3-amine;1-ethyl-N,N-dimethylpiperidin-4-amine;1-ethyl-N,N-dimethylpyrrolidin-3-amine;1-ethyl-N,N-di(propan-2-yl)piperidin-3-amine;1-ethyl-N,N-di(propan-2-yl)piperidin-4-amine;1-ethyl-N,N-di(propan-2-yl)pyrrolidin-3-amine;1-ethyl-N,N-dipropylpiperidin-3-amine;1-ethyl-N,N-dipropylpiperidin-4-amine;1-ethyl-N,N-dipropylpyrrolidin-3-amine;1-ethyl-4-methylpiperazine;1-ethyl-4-propan-2-ylpiperazine;N,N,1-triethylpiperidin-3-amine;N,N,1-triethylpiperidin-4-amine;N,N,1-triethylpyrrolidin-3-amine
CID 158143071
1,1-dimethyl-4-propan-2-ylpiperazin-1-ium;N,N-dimethyl-1-propan-2-ylpiperidin-4-amine;N,N-dimethyl-1-propan-2-ylpyrrolidin-3-amine;1,4-di(propan-2-yl)piperazine;methane;1-methyl-4-propan-2-ylpiperazine;bis(1-propan-2-ylpiperidine);1-propan-2-ylpyrrolidine
CID 159653810
8-Tert-butyl-3-propan-2-yl-3,8-diazabicyclo[3.2.1]octane;2,5-di(propan-2-yl)-2,5-diazabicyclo[2.2.1]heptane;2,5-di(propan-2-yl)-2,5-diazabicyclo[2.2.2]octane
CID 159970504
3-Tert-butyl-8-propan-2-yl-3,8-diazabicyclo[3.2.1]octane;2,5-di(propan-2-yl)-2,5-diazabicyclo[2.2.1]heptane;2,5-di(propan-2-yl)-2,5-diazabicyclo[2.2.2]octane;3,8-di(propan-2-yl)-3,8-diazabicyclo[3.2.1]octane
CID 160598494
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
1-ethyl-N,N-dimethylpiperidin-3-amine;1-ethyl-N,N-dimethylpiperidin-4-amine;(3S)-1-ethyl-N,N-dimethylpyrrolidin-3-amine;(3R)-1-ethyl-N,N-dimethylpyrrolidin-3-amine;1-ethyl-4-methylpiperazine;1-ethyl-4-propan-2-ylpiperazine;N,N,1-triethylpiperidin-4-amine;N,N,1-triethylpyrrolidin-3-amine
CID 160912465

Frequently Asked Questions

What is the IUPAC name of 2,5-dimethyl-2,5-diazabicyclo[2.2.1]heptane;2,5-dimethyl-2,5-diazabicyclo[2.2.2]octane;3,8-dimethyl-3,8-diazabicyclo[3.2.1]octane?
The IUPAC name of 2,5-dimethyl-2,5-diazabicyclo[2.2.1]heptane;2,5-dimethyl-2,5-diazabicyclo[2.2.2]octane;3,8-dimethyl-3,8-diazabicyclo[3.2.1]octane (CID 159475883) is 2,5-dimethyl-2,5-diazabicyclo[2.2.1]heptane;2,5-dimethyl-2,5-diazabicyclo[2.2.2]octane;3,8-dimethyl-3,8-diazabicyclo[3.2.1]octane.
What is the SMILES notation for 2,5-dimethyl-2,5-diazabicyclo[2.2.1]heptane;2,5-dimethyl-2,5-diazabicyclo[2.2.2]octane;3,8-dimethyl-3,8-diazabicyclo[3.2.1]octane?
The canonical SMILES for 2,5-dimethyl-2,5-diazabicyclo[2.2.1]heptane;2,5-dimethyl-2,5-diazabicyclo[2.2.2]octane;3,8-dimethyl-3,8-diazabicyclo[3.2.1]octane is CN1CC2CC1CN2C.CN1CC2CCC(C1)N2C.CN1CC2CCC1CN2C.
What is the InChIKey of 2,5-dimethyl-2,5-diazabicyclo[2.2.1]heptane;2,5-dimethyl-2,5-diazabicyclo[2.2.2]octane;3,8-dimethyl-3,8-diazabicyclo[3.2.1]octane?
The InChIKey is LWJKKMHRZBLDDC-UHFFFAOYSA-N. The full InChI is InChI=1S/2C8H16N2.C7H14N2/c1-9-5-8-4-3-7(9)6-10(8)2;1-9-5-7-3-4-8(6-9)10(7)2;1-8-4-7-3-6(8)5-9(7)2/h2*7-8H,3-6H2,1-2H3;6-7H,3-5H2,1-2H3.
What are the key properties of 2,5-dimethyl-2,5-diazabicyclo[2.2.1]heptane;2,5-dimethyl-2,5-diazabicyclo[2.2.2]octane;3,8-dimethyl-3,8-diazabicyclo[3.2.1]octane?
2,5-dimethyl-2,5-diazabicyclo[2.2.1]heptane;2,5-dimethyl-2,5-diazabicyclo[2.2.2]octane;3,8-dimethyl-3,8-diazabicyclo[3.2.1]octane has a molecular weight of 406.66 g/mol, XLogP of 0.79, 0 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2,5-dimethyl-2,5-diazabicyclo[2.2.1]heptane;2,5-dimethyl-2,5-diazabicyclo[2.2.2]octane;3,8-dimethyl-3,8-diazabicyclo[3.2.1]octane is sourced from PubChem (CID 159475883), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).