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

C32H64N8 — CID 160879752

IUPACbis(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
SMILESCCN1C2CC1CN(C)C2.CCN1CC2CC(C1)N2C.CCN1CC2CC1CN2C.CCN1CC2CC1CN2C
InChIInChI=1S/4C8H16N2/c2*1-3-10-6-7-4-8(10)5-9(7)2;1-3-10-5-7-4-8(6-10)9(7)2;1-3-10-7-4-8(10)6-9(2)5-7/h4*7-8H,3-6H2,1-2H3
InChIKeySMWMDZKATCHWOG-UHFFFAOYSA-N
MW560.92 g/mol
LogP1.58
Rot. Bonds4

About 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

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 (PubChem CID 160879752) has the molecular formula C32H64N8 and a molecular weight of 560.92 g/mol. Its IUPAC name is 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.

Molecular Properties

Compound Namebis(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
PubChem CID160879752
Molecular FormulaC32H64N8
Molecular Weight560.92 g/mol
Exact Mass560.53
IUPAC Namebis(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
SMILESCCN1C2CC1CN(C)C2.CCN1CC2CC(C1)N2C.CCN1CC2CC1CN2C.CCN1CC2CC1CN2C
InChIInChI=1S/4C8H16N2/c2*1-3-10-6-7-4-8(10)5-9(7)2;1-3-10-5-7-4-8(6-10)9(7)2;1-3-10-7-4-8(10)6-9(2)5-7/h4*7-8H,3-6H2,1-2H3
InChIKeySMWMDZKATCHWOG-UHFFFAOYSA-N
XLogP1.58
TPSA25.92 Ų
H-Bond Donors
H-Bond Acceptors8
Rotatable Bonds4
Heavy Atoms40
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500560.92
LogP ≤ 51.58
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 108

Analyze 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 with MolForge

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Frequently Asked Questions

What is the IUPAC name of 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?
The IUPAC name of 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) is 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.
What is the SMILES notation for 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?
The canonical SMILES for 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 is CCN1C2CC1CN(C)C2.CCN1CC2CC(C1)N2C.CCN1CC2CC1CN2C.CCN1CC2CC1CN2C.
What is the InChIKey of 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?
The InChIKey is SMWMDZKATCHWOG-UHFFFAOYSA-N. The full InChI is InChI=1S/4C8H16N2/c2*1-3-10-6-7-4-8(10)5-9(7)2;1-3-10-5-7-4-8(6-10)9(7)2;1-3-10-7-4-8(10)6-9(2)5-7/h4*7-8H,3-6H2,1-2H3.
What are the key properties of 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?
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 has a molecular weight of 560.92 g/mol, XLogP of 1.58, 4 rotatable bonds, 0 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 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 is sourced from PubChem (CID 160879752), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).