2,5-dimethyl-2,5-diazabicyclo[2.2.2]octane;3,8-di(propan-2-yl)-3,8-diazabicyclo[3.2.1]octane;1,4-di(propan-2-yl)piperazine;1,4-di(propan-2-yl)piperidine

C41H85N7 — CID 167671921

IUPAC2,5-dimethyl-2,5-diazabicyclo[2.2.2]octane;3,8-di(propan-2-yl)-3,8-diazabicyclo[3.2.1]octane;1,4-di(propan-2-yl)piperazine;1,4-di(propan-2-yl)piperidine
SMILESCC(C)C1CCN(C(C)C)CC1.CC(C)N1CC2CCC(C1)N2C(C)C.CC(C)N1CCN(C(C)C)CC1.CN1CC2CCC1CN2C
InChIInChI=1S/C12H24N2.C11H23N.C10H22N2.C8H16N2/c1-9(2)13-7-11-5-6-12(8-13)14(11)10(3)4;2*1-9(2)11-5-7-12(8-6-11)10(3)4;1-9-5-8-4-3-7(9)6-10(8)2/h9-12H,5-8H2,1-4H3;9-11H,5-8H2,1-4H3;9-10H,5-8H2,1-4H3;7-8H,3-6H2,1-2H3
InChIKeyUFYQQGDUKQTNER-UHFFFAOYSA-N
MW676.18 g/mol
LogP6.53
Rot. Bonds6

About 2,5-dimethyl-2,5-diazabicyclo[2.2.2]octane;3,8-di(propan-2-yl)-3,8-diazabicyclo[3.2.1]octane;1,4-di(propan-2-yl)piperazine;1,4-di(propan-2-yl)piperidine

2,5-dimethyl-2,5-diazabicyclo[2.2.2]octane;3,8-di(propan-2-yl)-3,8-diazabicyclo[3.2.1]octane;1,4-di(propan-2-yl)piperazine;1,4-di(propan-2-yl)piperidine (PubChem CID 167671921) has the molecular formula C41H85N7 and a molecular weight of 676.18 g/mol. Its IUPAC name is 2,5-dimethyl-2,5-diazabicyclo[2.2.2]octane;3,8-di(propan-2-yl)-3,8-diazabicyclo[3.2.1]octane;1,4-di(propan-2-yl)piperazine;1,4-di(propan-2-yl)piperidine.

Molecular Properties

Compound Name2,5-dimethyl-2,5-diazabicyclo[2.2.2]octane;3,8-di(propan-2-yl)-3,8-diazabicyclo[3.2.1]octane;1,4-di(propan-2-yl)piperazine;1,4-di(propan-2-yl)piperidine
PubChem CID167671921
Molecular FormulaC41H85N7
Molecular Weight676.18 g/mol
Exact Mass675.69
IUPAC Name2,5-dimethyl-2,5-diazabicyclo[2.2.2]octane;3,8-di(propan-2-yl)-3,8-diazabicyclo[3.2.1]octane;1,4-di(propan-2-yl)piperazine;1,4-di(propan-2-yl)piperidine
SMILESCC(C)C1CCN(C(C)C)CC1.CC(C)N1CC2CCC(C1)N2C(C)C.CC(C)N1CCN(C(C)C)CC1.CN1CC2CCC1CN2C
InChIInChI=1S/C12H24N2.C11H23N.C10H22N2.C8H16N2/c1-9(2)13-7-11-5-6-12(8-13)14(11)10(3)4;2*1-9(2)11-5-7-12(8-6-11)10(3)4;1-9-5-8-4-3-7(9)6-10(8)2/h9-12H,5-8H2,1-4H3;9-11H,5-8H2,1-4H3;9-10H,5-8H2,1-4H3;7-8H,3-6H2,1-2H3
InChIKeyUFYQQGDUKQTNER-UHFFFAOYSA-N
XLogP6.53
TPSA22.68 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms48
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500676.18
LogP ≤ 56.53
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

Analyze 2,5-dimethyl-2,5-diazabicyclo[2.2.2]octane;3,8-di(propan-2-yl)-3,8-diazabicyclo[3.2.1]octane;1,4-di(propan-2-yl)piperazine;1,4-di(propan-2-yl)piperidine with MolForge

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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
1,2-dimethyl-4-propan-2-ylpiperazine;3-ethyl-4-methyl-1-propan-2-ylpiperidine;1-methyl-4-propan-2-ylpiperazine;bis((2S,6R)-1,2,6-trimethyl-4-propan-2-ylpiperazine);(2R,6R)-1,2,6-trimethyl-4-propan-2-ylpiperazine
CID 157441301
N'-[2-(dimethylamino)ethyl]-N'-ethyl-N,N-dimethylethane-1,2-diamine;N'-[2-[ethyl(methyl)amino]ethyl]-N,N,N'-trimethylethane-1,2-diamine;N-ethyl-N-methyl-2-piperidin-1-ylpropan-1-amine;N'-ethyl-N,N,N'-trimethylethane-1,2-diamine;1-N-ethyl-1-N,2-N,2-N-trimethylpropane-1,2-diamine;N'-ethyl-N,N,N'-trimethylpropane-1,3-diamine;1-methyl-4-(2-methylpentyl)piperazine;1-methyl-3-(2-methylpropyl)imidazolidine;1-methyl-4-pentyl-1,4-diazepane;1-methyl-3-pentyl-1,3-diazinane;1-methyl-4-pentylpiperazine;1-methyl-4-propylpiperazine;1-N,1-N,1-N',1-N'-tetramethylethane-1,1-diamine;N,N,N',N'-tetramethylethane-1,2-diamine;N,N',N'-triethyl-N-methylethane-1,2-diamine
CID 157748767
1-Tert-butyl-2,6-dimethyl-4-propan-2-ylpiperazine;1-tert-butyl-4-propan-2-ylpiperazine;1,4,4-tri(propan-2-yl)azepane;1,4,4-tri(propan-2-yl)piperidine;1,3,3-tri(propan-2-yl)pyrrolidine
CID 158109596
1,2-Dimethyl-1-propylpiperidin-1-ium;1,3-dimethyl-1-propylpiperidin-1-ium;1,4-dimethyl-1-propylpiperidin-1-ium;1,2,3-trimethyl-1-propylpiperidin-1-ium;1,2,4-trimethyl-1-propylpiperidin-1-ium;1,2,6-trimethyl-1-propylpiperidin-1-ium;1,3,4-trimethyl-1-propylpiperidin-1-ium
CID 158191215
1,3-Dimethylpiperidine;1,4-dimethylpiperidine;1,3-dimethylpyrrolidine;2-ethyl-1-methylpiperidine;3-ethyl-1-methylpiperidine;4-ethyl-1-methylpiperidine
CID 158593855
Carbanide;2,5-dimethyl-6-azoniaspiro[5.6]dodecane;3,5-dimethyl-6-azoniaspiro[5.6]dodecane;4,5-dimethyl-6-azoniaspiro[5.6]dodecane;3-methyl-6-azoniaspiro[5.6]dodecane;4-methyl-6-azoniaspiro[5.6]dodecane;5-methyl-6-azoniaspiro[5.6]dodecane;1,2,3,4,5-pentamethyl-6-azoniaspiro[5.5]undecane
CID 158632587
1-(2-Ethyl-3-methylbutyl)-4-methylpiperazine;4-(2-ethyl-3-methylbutyl)-1-methylpiperidine;1-ethyl-4-(3-methylbutyl)piperidine;1-ethyl-4-(2-methylpropyl)piperidine;bis(4-(3-methylbutyl)-1-propan-2-ylpiperidine);1-methyl-4-(2-methylpropyl)piperidine;4-(2-methylpropyl)-1-propan-2-ylpiperidine
CID 158759183
1-(2-Ethyl-3-methylbutyl)-4-methylpiperazine;4-(2-ethyl-3-methylbutyl)-1-methylpiperidine;1-ethyl-4-(3-methylbutyl)piperidine;1-ethyl-4-(2-methylpropyl)piperidine;methane;4-(3-methylbutyl)-1-propan-2-ylpiperidine;1-methyl-4-(3-methylbutyl)piperidine;1-methyl-4-(2-methylpropyl)piperidine;4-(2-methylpropyl)-1-propan-2-ylpiperidine
CID 158771271
1-Tert-butyl-4-(1-methylpiperidin-4-yl)piperazine;1-tert-butyl-4-(1-piperidin-1-ylethyl)piperidine;3-tert-butyl-8-pyrrolidin-1-yl-3-azabicyclo[3.2.1]octane
CID 158897788
3,5-Dimethyl-1-propan-2-ylpiperidine;1,3-di(propan-2-yl)piperidine;bis(4-ethyl-1-propan-2-ylpiperidine);3-ethyl-1-propan-2-ylpyrrolidine;methane;3-methyl-1-propan-2-ylpiperidine;bis(4-methyl-1-propan-2-ylpiperidine);3-(2-methylpropyl)-1-propan-2-ylpiperidine;1-propan-2-ylazepane;1-propan-2-ylpiperidine;1-propan-2-yl-4-propylpiperidine;1-propan-2-ylpyrrolidine
CID 158907796
Carbanide;1,2,4,5-tetramethyl-6-azoniaspiro[5.6]dodecane;1,3,4,5-tetramethyl-6-azoniaspiro[5.6]dodecane;2,3,4,5-tetramethyl-6-azoniaspiro[5.6]dodecane;1,3,5-trimethyl-6-azoniaspiro[5.6]dodecane;2,3,4-trimethyl-6-azoniaspiro[5.6]dodecane;2,3,5-trimethyl-6-azoniaspiro[5.6]dodecane
CID 159092012

Frequently Asked Questions

What is the IUPAC name of 2,5-dimethyl-2,5-diazabicyclo[2.2.2]octane;3,8-di(propan-2-yl)-3,8-diazabicyclo[3.2.1]octane;1,4-di(propan-2-yl)piperazine;1,4-di(propan-2-yl)piperidine?
The IUPAC name of 2,5-dimethyl-2,5-diazabicyclo[2.2.2]octane;3,8-di(propan-2-yl)-3,8-diazabicyclo[3.2.1]octane;1,4-di(propan-2-yl)piperazine;1,4-di(propan-2-yl)piperidine (CID 167671921) is 2,5-dimethyl-2,5-diazabicyclo[2.2.2]octane;3,8-di(propan-2-yl)-3,8-diazabicyclo[3.2.1]octane;1,4-di(propan-2-yl)piperazine;1,4-di(propan-2-yl)piperidine.
What is the SMILES notation for 2,5-dimethyl-2,5-diazabicyclo[2.2.2]octane;3,8-di(propan-2-yl)-3,8-diazabicyclo[3.2.1]octane;1,4-di(propan-2-yl)piperazine;1,4-di(propan-2-yl)piperidine?
The canonical SMILES for 2,5-dimethyl-2,5-diazabicyclo[2.2.2]octane;3,8-di(propan-2-yl)-3,8-diazabicyclo[3.2.1]octane;1,4-di(propan-2-yl)piperazine;1,4-di(propan-2-yl)piperidine is CC(C)C1CCN(C(C)C)CC1.CC(C)N1CC2CCC(C1)N2C(C)C.CC(C)N1CCN(C(C)C)CC1.CN1CC2CCC1CN2C.
What is the InChIKey of 2,5-dimethyl-2,5-diazabicyclo[2.2.2]octane;3,8-di(propan-2-yl)-3,8-diazabicyclo[3.2.1]octane;1,4-di(propan-2-yl)piperazine;1,4-di(propan-2-yl)piperidine?
The InChIKey is UFYQQGDUKQTNER-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H24N2.C11H23N.C10H22N2.C8H16N2/c1-9(2)13-7-11-5-6-12(8-13)14(11)10(3)4;2*1-9(2)11-5-7-12(8-6-11)10(3)4;1-9-5-8-4-3-7(9)6-10(8)2/h9-12H,5-8H2,1-4H3;9-11H,5-8H2,1-4H3;9-10H,5-8H2,1-4H3;7-8H,3-6H2,1-2H3.
What are the key properties of 2,5-dimethyl-2,5-diazabicyclo[2.2.2]octane;3,8-di(propan-2-yl)-3,8-diazabicyclo[3.2.1]octane;1,4-di(propan-2-yl)piperazine;1,4-di(propan-2-yl)piperidine?
2,5-dimethyl-2,5-diazabicyclo[2.2.2]octane;3,8-di(propan-2-yl)-3,8-diazabicyclo[3.2.1]octane;1,4-di(propan-2-yl)piperazine;1,4-di(propan-2-yl)piperidine has a molecular weight of 676.18 g/mol, XLogP of 6.53, 6 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2,5-dimethyl-2,5-diazabicyclo[2.2.2]octane;3,8-di(propan-2-yl)-3,8-diazabicyclo[3.2.1]octane;1,4-di(propan-2-yl)piperazine;1,4-di(propan-2-yl)piperidine is sourced from PubChem (CID 167671921), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).