2,5-dimethyl-2,5-diazabicyclo[2.2.1]heptane;bis(3,6-dimethyl-3,6-diazabicyclo[3.1.1]heptane)

C21H42N6 — CID 159096465

IUPAC2,5-dimethyl-2,5-diazabicyclo[2.2.1]heptane;bis(3,6-dimethyl-3,6-diazabicyclo[3.1.1]heptane)
SMILESCN1CC2CC(C1)N2C.CN1CC2CC(C1)N2C.CN1CC2CC1CN2C
InChIInChI=1S/3C7H14N2/c1-8-4-7-3-6(8)5-9(7)2;2*1-8-4-6-3-7(5-8)9(6)2/h3*6-7H,3-5H2,1-2H3
InChIKeyKCSRHOZRXUJXQU-UHFFFAOYSA-N
MW378.61 g/mol
LogP0.01
Rot. Bonds

About 2,5-dimethyl-2,5-diazabicyclo[2.2.1]heptane;bis(3,6-dimethyl-3,6-diazabicyclo[3.1.1]heptane)

2,5-dimethyl-2,5-diazabicyclo[2.2.1]heptane;bis(3,6-dimethyl-3,6-diazabicyclo[3.1.1]heptane) (PubChem CID 159096465) has the molecular formula C21H42N6 and a molecular weight of 378.61 g/mol. Its IUPAC name is 2,5-dimethyl-2,5-diazabicyclo[2.2.1]heptane;bis(3,6-dimethyl-3,6-diazabicyclo[3.1.1]heptane).

Molecular Properties

Compound Name2,5-dimethyl-2,5-diazabicyclo[2.2.1]heptane;bis(3,6-dimethyl-3,6-diazabicyclo[3.1.1]heptane)
PubChem CID159096465
Molecular FormulaC21H42N6
Molecular Weight378.61 g/mol
Exact Mass378.35
IUPAC Name2,5-dimethyl-2,5-diazabicyclo[2.2.1]heptane;bis(3,6-dimethyl-3,6-diazabicyclo[3.1.1]heptane)
SMILESCN1CC2CC(C1)N2C.CN1CC2CC(C1)N2C.CN1CC2CC1CN2C
InChIInChI=1S/3C7H14N2/c1-8-4-7-3-6(8)5-9(7)2;2*1-8-4-6-3-7(5-8)9(6)2/h3*6-7H,3-5H2,1-2H3
InChIKeyKCSRHOZRXUJXQU-UHFFFAOYSA-N
XLogP0.01
TPSA19.44 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500378.61
LogP ≤ 50.01
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Analyze 2,5-dimethyl-2,5-diazabicyclo[2.2.1]heptane;bis(3,6-dimethyl-3,6-diazabicyclo[3.1.1]heptane) with MolForge

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Related Compounds

2-Methyl-5-propan-2-yl-2,5-diazabicyclo[2.2.1]heptane;6-methyl-3-propan-2-yl-3,6-diazabicyclo[3.1.1]heptane
CID 157288011
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
Carbanide;2,5-dimethyl-2,5-diazabicyclo[2.2.1]heptane;bis(3,6-dimethyl-3,6-diazabicyclo[3.1.1]heptane);tungsten(2+)
CID 157415417
2,5-Dimethyl-2,5-diazabicyclo[2.2.1]heptane;bis(3,6-dimethyl-3,6-diazabicyclo[3.1.1]heptane);methane
CID 157582080
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;2,6-di(propan-2-yl)-2,6-diazaspiro[3.3]heptane
CID 157901525
2-Methyl-2-aza-5-azanidabicyclo[2.2.1]heptane;3-methyl-3-aza-6-azanidabicyclo[3.1.1]heptane;6-methyl-6-aza-3-azanidabicyclo[3.1.1]heptane;4-methyl-1,4-diazabicyclo[3.1.1]heptane;3-methyl-1,3-diazabicyclo[2.2.2]octane;tris(vanadium)
CID 158152502
Carbanide;2,5-dimethyl-2,5-diazabicyclo[2.2.1]heptane;bis(3,6-dimethyl-3,6-diazabicyclo[3.1.1]heptane);methane;tungsten(2+)
CID 159146379
Carbanide;2,5-dimethyl-2,5-diazabicyclo[2.2.1]heptane;bis(3,6-dimethyl-3,6-diazabicyclo[3.1.1]heptane);methane;tungsten(2+)
CID 159563963
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
Bis(2-ethyl-5-methyl-2,5-diazabicyclo[2.2.1]heptane);3-ethyl-6-methyl-3,6-diazabicyclo[3.1.1]heptane;6-ethyl-3-methyl-3,6-diazabicyclo[3.1.1]heptane
CID 160879752
2-Tert-butyl-5-methyl-2,5-diazabicyclo[2.2.1]heptane;3-tert-butyl-6-methyl-3,6-diazabicyclo[3.1.1]heptane;6-tert-butyl-3-methyl-3,6-diazabicyclo[3.1.1]heptane
CID 161189021
(2R,3R)-2,3-dimethyl-1,4-di(propan-2-yl)piperazine;(2S,3R)-2,3-dimethyl-1,4-di(propan-2-yl)piperazine;bis((2S,6R)-2,6-dimethyl-1,4-di(propan-2-yl)piperazine);(2R,6R)-2,6-dimethyl-1,4-di(propan-2-yl)piperazine;(2S,6S)-2,6-dimethyl-1,4-di(propan-2-yl)piperazine;(1R,4R)-2,5-di(propan-2-yl)-2,5-diazabicyclo[2.2.1]heptane;(2R)-2-methyl-1,4-di(propan-2-yl)piperazine;(2S)-2-methyl-1,4-di(propan-2-yl)piperazine
CID 161315851

Frequently Asked Questions

What is the IUPAC name of 2,5-dimethyl-2,5-diazabicyclo[2.2.1]heptane;bis(3,6-dimethyl-3,6-diazabicyclo[3.1.1]heptane)?
The IUPAC name of 2,5-dimethyl-2,5-diazabicyclo[2.2.1]heptane;bis(3,6-dimethyl-3,6-diazabicyclo[3.1.1]heptane) (CID 159096465) is 2,5-dimethyl-2,5-diazabicyclo[2.2.1]heptane;bis(3,6-dimethyl-3,6-diazabicyclo[3.1.1]heptane).
What is the SMILES notation for 2,5-dimethyl-2,5-diazabicyclo[2.2.1]heptane;bis(3,6-dimethyl-3,6-diazabicyclo[3.1.1]heptane)?
The canonical SMILES for 2,5-dimethyl-2,5-diazabicyclo[2.2.1]heptane;bis(3,6-dimethyl-3,6-diazabicyclo[3.1.1]heptane) is CN1CC2CC(C1)N2C.CN1CC2CC(C1)N2C.CN1CC2CC1CN2C.
What is the InChIKey of 2,5-dimethyl-2,5-diazabicyclo[2.2.1]heptane;bis(3,6-dimethyl-3,6-diazabicyclo[3.1.1]heptane)?
The InChIKey is KCSRHOZRXUJXQU-UHFFFAOYSA-N. The full InChI is InChI=1S/3C7H14N2/c1-8-4-7-3-6(8)5-9(7)2;2*1-8-4-6-3-7(5-8)9(6)2/h3*6-7H,3-5H2,1-2H3.
What are the key properties of 2,5-dimethyl-2,5-diazabicyclo[2.2.1]heptane;bis(3,6-dimethyl-3,6-diazabicyclo[3.1.1]heptane)?
2,5-dimethyl-2,5-diazabicyclo[2.2.1]heptane;bis(3,6-dimethyl-3,6-diazabicyclo[3.1.1]heptane) has a molecular weight of 378.61 g/mol, XLogP of 0.01, 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;bis(3,6-dimethyl-3,6-diazabicyclo[3.1.1]heptane) is sourced from PubChem (CID 159096465), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).