3,8-dimethyl-3,8-diazabicyclo[3.2.1]octane;ethane;1,2,2,4-tetramethylpiperazine

C24H58N4 — CID 142347807

IUPAC3,8-dimethyl-3,8-diazabicyclo[3.2.1]octane;ethane;1,2,2,4-tetramethylpiperazine
SMILESCC.CC.CC.CC.CN1CC2CCC(C1)N2C.CN1CCN(C)C(C)(C)C1
InChIInChI=1S/C8H16N2.C8H18N2.4C2H6/c1-9-5-7-3-4-8(6-9)10(7)2;1-8(2)7-9(3)5-6-10(8)4;4*1-2/h7-8H,3-6H2,1-2H3;5-7H2,1-4H3;4*1-2H3
InChIKeyWBQLXXKDNJAQFZ-UHFFFAOYSA-N
MW402.76 g/mol
LogP5.14
Rot. Bonds

About 3,8-dimethyl-3,8-diazabicyclo[3.2.1]octane;ethane;1,2,2,4-tetramethylpiperazine

3,8-dimethyl-3,8-diazabicyclo[3.2.1]octane;ethane;1,2,2,4-tetramethylpiperazine (PubChem CID 142347807) has the molecular formula C24H58N4 and a molecular weight of 402.76 g/mol. Its IUPAC name is 3,8-dimethyl-3,8-diazabicyclo[3.2.1]octane;ethane;1,2,2,4-tetramethylpiperazine.

Molecular Properties

Compound Name3,8-dimethyl-3,8-diazabicyclo[3.2.1]octane;ethane;1,2,2,4-tetramethylpiperazine
PubChem CID142347807
Molecular FormulaC24H58N4
Molecular Weight402.76 g/mol
Exact Mass402.47
IUPAC Name3,8-dimethyl-3,8-diazabicyclo[3.2.1]octane;ethane;1,2,2,4-tetramethylpiperazine
SMILESCC.CC.CC.CC.CN1CC2CCC(C1)N2C.CN1CCN(C)C(C)(C)C1
InChIInChI=1S/C8H16N2.C8H18N2.4C2H6/c1-9-5-7-3-4-8(6-9)10(7)2;1-8(2)7-9(3)5-6-10(8)4;4*1-2/h7-8H,3-6H2,1-2H3;5-7H2,1-4H3;4*1-2H3
InChIKeyWBQLXXKDNJAQFZ-UHFFFAOYSA-N
XLogP5.14
TPSA12.96 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500402.76
LogP ≤ 55.14
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze 3,8-dimethyl-3,8-diazabicyclo[3.2.1]octane;ethane;1,2,2,4-tetramethylpiperazine with MolForge

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Related Compounds

4-[3-(4-Propan-2-ylpiperazin-1-yl)propyl]-1,4-diazabicyclo[3.2.1]octane
CID 122154253
8-Tert-butyl-3-methyl-3,8-diazabicyclo[3.2.1]octane
CID 57910905
3-Tert-butyl-8-methyl-3,8-diazabicyclo[3.2.1]octane
CID 57910922
N-[2-(8-tert-butyl-3,8-diazabicyclo[3.2.1]octan-3-yl)ethyl]-N,2-dimethylpropan-2-amine
CID 58317801
N-[2-(3-tert-butyl-3,8-diazabicyclo[3.2.1]octan-8-yl)ethyl]-N,2-dimethylpropan-2-amine
CID 58317819
3-Tert-butyl-8-propyl-3,8-diazabicyclo[3.2.1]octane
CID 58584513
3,8-Ditert-butyl-3,8-diazabicyclo[3.2.1]octane
CID 58721687
8-Tert-butyl-3-propan-2-yl-3,8-diazabicyclo[3.2.1]octane
CID 59568691
3-Tert-butyl-3-aza-8-azanidabicyclo[3.2.1]octane;rubidium(1+)
CID 59777249
3-(1-Ethylpiperidin-4-yl)-8-methyl-3,8-diazabicyclo[3.2.1]octane
CID 70996950
3-(4-Tert-butylpiperazin-1-yl)-8-methyl-8-azabicyclo[3.2.1]octane
CID 70996988
3-(1-Tert-butylpiperidin-4-yl)-8-methyl-3,8-diazabicyclo[3.2.1]octane
CID 70997013

Frequently Asked Questions

What is the IUPAC name of 3,8-dimethyl-3,8-diazabicyclo[3.2.1]octane;ethane;1,2,2,4-tetramethylpiperazine?
The IUPAC name of 3,8-dimethyl-3,8-diazabicyclo[3.2.1]octane;ethane;1,2,2,4-tetramethylpiperazine (CID 142347807) is 3,8-dimethyl-3,8-diazabicyclo[3.2.1]octane;ethane;1,2,2,4-tetramethylpiperazine.
What is the SMILES notation for 3,8-dimethyl-3,8-diazabicyclo[3.2.1]octane;ethane;1,2,2,4-tetramethylpiperazine?
The canonical SMILES for 3,8-dimethyl-3,8-diazabicyclo[3.2.1]octane;ethane;1,2,2,4-tetramethylpiperazine is CC.CC.CC.CC.CN1CC2CCC(C1)N2C.CN1CCN(C)C(C)(C)C1.
What is the InChIKey of 3,8-dimethyl-3,8-diazabicyclo[3.2.1]octane;ethane;1,2,2,4-tetramethylpiperazine?
The InChIKey is WBQLXXKDNJAQFZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H16N2.C8H18N2.4C2H6/c1-9-5-7-3-4-8(6-9)10(7)2;1-8(2)7-9(3)5-6-10(8)4;4*1-2/h7-8H,3-6H2,1-2H3;5-7H2,1-4H3;4*1-2H3.
What are the key properties of 3,8-dimethyl-3,8-diazabicyclo[3.2.1]octane;ethane;1,2,2,4-tetramethylpiperazine?
3,8-dimethyl-3,8-diazabicyclo[3.2.1]octane;ethane;1,2,2,4-tetramethylpiperazine has a molecular weight of 402.76 g/mol, XLogP of 5.14, 0 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3,8-dimethyl-3,8-diazabicyclo[3.2.1]octane;ethane;1,2,2,4-tetramethylpiperazine is sourced from PubChem (CID 142347807), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).