bis(2,5-di(propan-2-yl)-2-azabicyclo[2.2.1]heptane);2,5-di(propan-2-yl)-2,5-diazabicyclo[2.2.1]heptane

C35H68N4 — CID 165075194

IUPACbis(2,5-di(propan-2-yl)-2-azabicyclo[2.2.1]heptane);2,5-di(propan-2-yl)-2,5-diazabicyclo[2.2.1]heptane
SMILESCC(C)C1CC2CC1CN2C(C)C.CC(C)C1CC2CC1CN2C(C)C.CC(C)N1CC2CC1CN2C(C)C
InChIInChI=1S/2C12H23N.C11H22N2/c3*1-8(2)12-6-11-5-10(12)7-13(11)9(3)4/h2*8-12H,5-7H2,1-4H3;8-11H,5-7H2,1-4H3
InChIKeyUEPQIAKWNRMGSI-UHFFFAOYSA-N
MW544.96 g/mol
LogP7.08
Rot. Bonds6

About bis(2,5-di(propan-2-yl)-2-azabicyclo[2.2.1]heptane);2,5-di(propan-2-yl)-2,5-diazabicyclo[2.2.1]heptane

bis(2,5-di(propan-2-yl)-2-azabicyclo[2.2.1]heptane);2,5-di(propan-2-yl)-2,5-diazabicyclo[2.2.1]heptane (PubChem CID 165075194) has the molecular formula C35H68N4 and a molecular weight of 544.96 g/mol. Its IUPAC name is bis(2,5-di(propan-2-yl)-2-azabicyclo[2.2.1]heptane);2,5-di(propan-2-yl)-2,5-diazabicyclo[2.2.1]heptane.

Molecular Properties

Compound Namebis(2,5-di(propan-2-yl)-2-azabicyclo[2.2.1]heptane);2,5-di(propan-2-yl)-2,5-diazabicyclo[2.2.1]heptane
PubChem CID165075194
Molecular FormulaC35H68N4
Molecular Weight544.96 g/mol
Exact Mass544.54
IUPAC Namebis(2,5-di(propan-2-yl)-2-azabicyclo[2.2.1]heptane);2,5-di(propan-2-yl)-2,5-diazabicyclo[2.2.1]heptane
SMILESCC(C)C1CC2CC1CN2C(C)C.CC(C)C1CC2CC1CN2C(C)C.CC(C)N1CC2CC1CN2C(C)C
InChIInChI=1S/2C12H23N.C11H22N2/c3*1-8(2)12-6-11-5-10(12)7-13(11)9(3)4/h2*8-12H,5-7H2,1-4H3;8-11H,5-7H2,1-4H3
InChIKeyUEPQIAKWNRMGSI-UHFFFAOYSA-N
XLogP7.08
TPSA12.96 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms39
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500544.96
LogP ≤ 57.08
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze bis(2,5-di(propan-2-yl)-2-azabicyclo[2.2.1]heptane);2,5-di(propan-2-yl)-2,5-diazabicyclo[2.2.1]heptane with MolForge

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Related Compounds

2-Ethyl-5-[2-methyl-1-[2-(2-methylpropyl)-2-azabicyclo[2.2.1]heptan-5-yl]propan-2-yl]-2,5-diazabicyclo[2.2.1]heptane
CID 132048607
2-Ethyl-5-[1-(2-ethyl-2-azabicyclo[2.2.1]heptan-5-yl)-2-methylpropan-2-yl]-2,5-diazabicyclo[2.2.1]heptane
CID 132048691
2-[1-[2-(2,3-Dimethylbutyl)-2-azabicyclo[2.2.1]heptan-5-yl]-2-methylpropan-2-yl]-5-ethyl-2,5-diazabicyclo[2.2.1]heptane
CID 132160488
(1S,4S)-2,5-di(propan-2-yl)-2,5-diazabicyclo[2.2.1]heptane;1,4-di(propan-2-yl)piperazine;1,4-di(propan-2-yl)piperidine;(3S)-1,3-di(propan-2-yl)pyrrolidine;(3R)-1,3-di(propan-2-yl)pyrrolidine
CID 157229262
Bis(2,7-dimethyl-2-azabicyclo[2.2.1]heptane);bis(3,8-dimethyl-8-azabicyclo[3.2.1]octane)
CID 157778641
2,5-Di(propan-2-yl)-2-azabicyclo[2.2.1]heptane;2,5-di(propan-2-yl)-2,5-diazabicyclo[2.2.1]heptane
CID 158553257
2,7-Dimethyl-2-azabicyclo[2.2.1]heptane;bis(3,8-dimethyl-8-azabicyclo[3.2.1]octane);2-methyl-2-azabicyclo[2.2.1]heptane
CID 158570577
(1S,4S)-2,5-di(propan-2-yl)-2,5-diazabicyclo[2.2.1]heptane;bis(1,4-di(propan-2-yl)piperidine);(3S)-1,3-di(propan-2-yl)pyrrolidine;(3R)-1,3-di(propan-2-yl)pyrrolidine
CID 159989137
2,5-Ditert-butyl-2-azabicyclo[2.2.1]heptane;3,8-ditert-butyl-8-azabicyclo[3.2.1]octane;1,4-ditert-butylpiperidine;1,2-ditert-butylpyrrolidine;1,3-ditert-butylpyrrolidine;ethane
CID 160505363
2-Methyl-5-propan-2-yl-2,5-diazabicyclo[2.2.1]heptane;bis(2-propan-2-yl-2-azabicyclo[2.2.1]heptane);2-propan-2-yl-2-azabicyclo[3.2.1]octane
CID 161861294
(1R,4R)-3,5-dimethyl-2-[2-[(1S,4S)-6-methyl-2-[2-[(1R,4S)-2-methyl-2-azabicyclo[2.2.1]heptan-3-yl]ethyl]-2-azabicyclo[2.2.1]heptan-3-yl]ethyl]-2-azabicyclo[2.2.1]heptane
CID 170008380

Frequently Asked Questions

What is the IUPAC name of bis(2,5-di(propan-2-yl)-2-azabicyclo[2.2.1]heptane);2,5-di(propan-2-yl)-2,5-diazabicyclo[2.2.1]heptane?
The IUPAC name of bis(2,5-di(propan-2-yl)-2-azabicyclo[2.2.1]heptane);2,5-di(propan-2-yl)-2,5-diazabicyclo[2.2.1]heptane (CID 165075194) is bis(2,5-di(propan-2-yl)-2-azabicyclo[2.2.1]heptane);2,5-di(propan-2-yl)-2,5-diazabicyclo[2.2.1]heptane.
What is the SMILES notation for bis(2,5-di(propan-2-yl)-2-azabicyclo[2.2.1]heptane);2,5-di(propan-2-yl)-2,5-diazabicyclo[2.2.1]heptane?
The canonical SMILES for bis(2,5-di(propan-2-yl)-2-azabicyclo[2.2.1]heptane);2,5-di(propan-2-yl)-2,5-diazabicyclo[2.2.1]heptane is CC(C)C1CC2CC1CN2C(C)C.CC(C)C1CC2CC1CN2C(C)C.CC(C)N1CC2CC1CN2C(C)C.
What is the InChIKey of bis(2,5-di(propan-2-yl)-2-azabicyclo[2.2.1]heptane);2,5-di(propan-2-yl)-2,5-diazabicyclo[2.2.1]heptane?
The InChIKey is UEPQIAKWNRMGSI-UHFFFAOYSA-N. The full InChI is InChI=1S/2C12H23N.C11H22N2/c3*1-8(2)12-6-11-5-10(12)7-13(11)9(3)4/h2*8-12H,5-7H2,1-4H3;8-11H,5-7H2,1-4H3.
What are the key properties of bis(2,5-di(propan-2-yl)-2-azabicyclo[2.2.1]heptane);2,5-di(propan-2-yl)-2,5-diazabicyclo[2.2.1]heptane?
bis(2,5-di(propan-2-yl)-2-azabicyclo[2.2.1]heptane);2,5-di(propan-2-yl)-2,5-diazabicyclo[2.2.1]heptane has a molecular weight of 544.96 g/mol, XLogP of 7.08, 6 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for bis(2,5-di(propan-2-yl)-2-azabicyclo[2.2.1]heptane);2,5-di(propan-2-yl)-2,5-diazabicyclo[2.2.1]heptane is sourced from PubChem (CID 165075194), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).