3,6-diazabicyclo[3.2.1]octan-3-amine;ethane

C8H19N3 — CID 166166562

IUPAC3,6-diazabicyclo[3.2.1]octan-3-amine;ethane
SMILESCC.NN1CC2CNC(C2)C1
InChIInChI=1S/C6H13N3.C2H6/c7-9-3-5-1-6(4-9)8-2-5;1-2/h5-6,8H,1-4,7H2;1-2H3
InChIKeyYEOKNRMKGGBTNK-UHFFFAOYSA-N
MW157.26 g/mol
LogP0.18
Rot. Bonds

About 3,6-diazabicyclo[3.2.1]octan-3-amine;ethane

3,6-diazabicyclo[3.2.1]octan-3-amine;ethane (PubChem CID 166166562) has the molecular formula C8H19N3 and a molecular weight of 157.26 g/mol. Its IUPAC name is 3,6-diazabicyclo[3.2.1]octan-3-amine;ethane.

Molecular Properties

Compound Name3,6-diazabicyclo[3.2.1]octan-3-amine;ethane
PubChem CID166166562
Molecular FormulaC8H19N3
Molecular Weight157.26 g/mol
Exact Mass157.16
IUPAC Name3,6-diazabicyclo[3.2.1]octan-3-amine;ethane
SMILESCC.NN1CC2CNC(C2)C1
InChIInChI=1S/C6H13N3.C2H6/c7-9-3-5-1-6(4-9)8-2-5;1-2/h5-6,8H,1-4,7H2;1-2H3
InChIKeyYEOKNRMKGGBTNK-UHFFFAOYSA-N
XLogP0.18
TPSA41.29 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500157.26
LogP ≤ 50.18
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'hydrazine', 'substructure': 'N/A'}

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Related Compounds

6-Methyl-3,6-diazabicyclo(3.2.1)octane dihydrochloride
CID 13999282
3-Methyl-3,6-diazabicyclo[3.2.1]octane
CID 13999283
3,6-Diazabicyclo[3.2.1]octane
CID 22121937
6-Methyl-3,6-diazabicyclo[3.2.1]octane
CID 13999281
6-Ethyl-8-fluoro-3,6-diazabicyclo[3.2.1]octane
CID 105431024
8-Fluoro-6-propan-2-yl-3,6-diazabicyclo[3.2.1]octane
CID 105435254
6-Tert-butyl-8-fluoro-3,6-diazabicyclo[3.2.1]octane
CID 105442286
(1S,5R)-6-methyl-3,6-diazabicyclo[3.2.1]octane
CID 11615167
3-Methyl-3,6-diazabicyclo[3.2.1]octane dihydrochloride
CID 13999284
3-Methyl-3,6-diazabicyclo[3.2.1]octane;dihydrobromide
CID 13999285
(1R,5R)-3-propan-2-yl-3,6-diazabicyclo[3.2.1]octane
CID 58438440
(1S,5S)-3-propan-2-yl-3,6-diazabicyclo[3.2.1]octane
CID 68223864

Frequently Asked Questions

What is the IUPAC name of 3,6-diazabicyclo[3.2.1]octan-3-amine;ethane?
The IUPAC name of 3,6-diazabicyclo[3.2.1]octan-3-amine;ethane (CID 166166562) is 3,6-diazabicyclo[3.2.1]octan-3-amine;ethane.
What is the SMILES notation for 3,6-diazabicyclo[3.2.1]octan-3-amine;ethane?
The canonical SMILES for 3,6-diazabicyclo[3.2.1]octan-3-amine;ethane is CC.NN1CC2CNC(C2)C1.
What is the InChIKey of 3,6-diazabicyclo[3.2.1]octan-3-amine;ethane?
The InChIKey is YEOKNRMKGGBTNK-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H13N3.C2H6/c7-9-3-5-1-6(4-9)8-2-5;1-2/h5-6,8H,1-4,7H2;1-2H3.
What are the key properties of 3,6-diazabicyclo[3.2.1]octan-3-amine;ethane?
3,6-diazabicyclo[3.2.1]octan-3-amine;ethane has a molecular weight of 157.26 g/mol, XLogP of 0.18, 0 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3,6-diazabicyclo[3.2.1]octan-3-amine;ethane is sourced from PubChem (CID 166166562), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).