2,5-diazabicyclo[2.2.1]heptane;2,5-diazabicyclo[2.2.2]octane;3,8-diazabicyclo[3.2.1]octane

C17H34N6 — CID 157052013

IUPAC2,5-diazabicyclo[2.2.1]heptane;2,5-diazabicyclo[2.2.2]octane;3,8-diazabicyclo[3.2.1]octane
SMILESC1CC2CNC1CN2.C1CC2CNCC1N2.C1NC2CNC1C2
InChIInChI=1S/2C6H12N2.C5H10N2/c1-2-6-4-7-5(1)3-8-6;1-2-6-4-7-3-5(1)8-6;1-4-2-6-5(1)3-7-4/h2*5-8H,1-4H2;4-7H,1-3H2
InChIKeyAAHWODFRRZCGTM-UHFFFAOYSA-N
MW322.50 g/mol
LogP-1.26
Rot. Bonds

About 2,5-diazabicyclo[2.2.1]heptane;2,5-diazabicyclo[2.2.2]octane;3,8-diazabicyclo[3.2.1]octane

2,5-diazabicyclo[2.2.1]heptane;2,5-diazabicyclo[2.2.2]octane;3,8-diazabicyclo[3.2.1]octane (PubChem CID 157052013) has the molecular formula C17H34N6 and a molecular weight of 322.50 g/mol. Its IUPAC name is 2,5-diazabicyclo[2.2.1]heptane;2,5-diazabicyclo[2.2.2]octane;3,8-diazabicyclo[3.2.1]octane.

Molecular Properties

Compound Name2,5-diazabicyclo[2.2.1]heptane;2,5-diazabicyclo[2.2.2]octane;3,8-diazabicyclo[3.2.1]octane
PubChem CID157052013
Molecular FormulaC17H34N6
Molecular Weight322.50 g/mol
Exact Mass322.28
IUPAC Name2,5-diazabicyclo[2.2.1]heptane;2,5-diazabicyclo[2.2.2]octane;3,8-diazabicyclo[3.2.1]octane
SMILESC1CC2CNC1CN2.C1CC2CNCC1N2.C1NC2CNC1C2
InChIInChI=1S/2C6H12N2.C5H10N2/c1-2-6-4-7-5(1)3-8-6;1-2-6-4-7-3-5(1)8-6;1-4-2-6-5(1)3-7-4/h2*5-8H,1-4H2;4-7H,1-3H2
InChIKeyAAHWODFRRZCGTM-UHFFFAOYSA-N
XLogP-1.26
TPSA72.18 Ų
H-Bond Donors6
H-Bond Acceptors6
Rotatable Bonds
Heavy Atoms23
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500322.50
LogP ≤ 5-1.26
H-Bond Donors ≤ 56
H-Bond Acceptors ≤ 106

Analyze 2,5-diazabicyclo[2.2.1]heptane;2,5-diazabicyclo[2.2.2]octane;3,8-diazabicyclo[3.2.1]octane with MolForge

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Related Compounds

1-(2,5-Diazabicyclo[2.2.1]heptan-3-yl)-3-(3,8-diazabicyclo[3.2.1]octan-1-yl)-2,5-diazabicyclo[2.2.2]octane
CID 130281433
2,5-Dimethyl-2,5-diazabicyclo[2.2.1]heptane;2,5-dimethyl-2,5-diazabicyclo[2.2.2]octane;3,8-dimethyl-3,8-diazabicyclo[3.2.1]octane
CID 159475883
8-Tert-butyl-3-propan-2-yl-3,8-diazabicyclo[3.2.1]octane;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
CID 159970504
2-(2,5-Diazabicyclo[2.2.1]heptan-2-yl)-5-(3,6-diazabicyclo[3.1.0]hexan-6-yl)-2,5-diazabicyclo[2.2.2]octane
CID 174178218

Frequently Asked Questions

What is the IUPAC name of 2,5-diazabicyclo[2.2.1]heptane;2,5-diazabicyclo[2.2.2]octane;3,8-diazabicyclo[3.2.1]octane?
The IUPAC name of 2,5-diazabicyclo[2.2.1]heptane;2,5-diazabicyclo[2.2.2]octane;3,8-diazabicyclo[3.2.1]octane (CID 157052013) is 2,5-diazabicyclo[2.2.1]heptane;2,5-diazabicyclo[2.2.2]octane;3,8-diazabicyclo[3.2.1]octane.
What is the SMILES notation for 2,5-diazabicyclo[2.2.1]heptane;2,5-diazabicyclo[2.2.2]octane;3,8-diazabicyclo[3.2.1]octane?
The canonical SMILES for 2,5-diazabicyclo[2.2.1]heptane;2,5-diazabicyclo[2.2.2]octane;3,8-diazabicyclo[3.2.1]octane is C1CC2CNC1CN2.C1CC2CNCC1N2.C1NC2CNC1C2.
What is the InChIKey of 2,5-diazabicyclo[2.2.1]heptane;2,5-diazabicyclo[2.2.2]octane;3,8-diazabicyclo[3.2.1]octane?
The InChIKey is AAHWODFRRZCGTM-UHFFFAOYSA-N. The full InChI is InChI=1S/2C6H12N2.C5H10N2/c1-2-6-4-7-5(1)3-8-6;1-2-6-4-7-3-5(1)8-6;1-4-2-6-5(1)3-7-4/h2*5-8H,1-4H2;4-7H,1-3H2.
What are the key properties of 2,5-diazabicyclo[2.2.1]heptane;2,5-diazabicyclo[2.2.2]octane;3,8-diazabicyclo[3.2.1]octane?
2,5-diazabicyclo[2.2.1]heptane;2,5-diazabicyclo[2.2.2]octane;3,8-diazabicyclo[3.2.1]octane has a molecular weight of 322.50 g/mol, XLogP of -1.26, 0 rotatable bonds, 6 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2,5-diazabicyclo[2.2.1]heptane;2,5-diazabicyclo[2.2.2]octane;3,8-diazabicyclo[3.2.1]octane is sourced from PubChem (CID 157052013), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).