3-azabicyclo[3.2.1]octan-8-amine

C7H14N2 — CID 18540942

IUPAC3-azabicyclo[3.2.1]octan-8-amine
SMILESNC1C2CCC1CNC2
InChIInChI=1S/C7H14N2/c8-7-5-1-2-6(7)4-9-3-5/h5-7,9H,1-4,8H2
InChIKeySFKAYSQAVXEORK-UHFFFAOYSA-N
MW126.20 g/mol
LogP-0.06
Rot. Bonds

About 3-azabicyclo[3.2.1]octan-8-amine

3-azabicyclo[3.2.1]octan-8-amine (PubChem CID 18540942) has the molecular formula C7H14N2 and a molecular weight of 126.20 g/mol. Its IUPAC name is 3-azabicyclo[3.2.1]octan-8-amine.

Molecular Properties

Compound Name3-azabicyclo[3.2.1]octan-8-amine
PubChem CID18540942
Molecular FormulaC7H14N2
Molecular Weight126.20 g/mol
Exact Mass126.12
IUPAC Name3-azabicyclo[3.2.1]octan-8-amine
SMILESNC1C2CCC1CNC2
InChIInChI=1S/C7H14N2/c8-7-5-1-2-6(7)4-9-3-5/h5-7,9H,1-4,8H2
InChIKeySFKAYSQAVXEORK-UHFFFAOYSA-N
XLogP-0.06
TPSA38.05 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500126.20
LogP ≤ 5-0.06
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

(1S,5S)-3-azabicyclo[3.2.0]heptane
CID 86330104
(1S,5R)-8-methyl-3-azabicyclo[3.2.1]octane
CID 139316349
(1S,5S)-3-azabicyclo[3.2.1]octan-8-ol
CID 98114773
ethane;8-methyl-3-azabicyclo[3.2.1]octane
CID 155722306
8-methoxy-3-azabicyclo[3.2.1]octane
CID 78149445
(12aR)-1,2,3,3a,4,5,6,7,8,9,10,11,12,12a-tetradecahydrocycloundeca[c]pyrrole
CID 122625912
(3aS,6aR)-1,2,3,3a,4,5,6,6a-octahydrocyclopenta[c]pyrrole;hydrochloride
CID 67080793
CID 172701380
CID 172701380
1,2,3,4,4a,5,6,7,8,8a-decahydroisoquinolin-6-amine
CID 135184580
tricyclo[4.2.1.12,4]decan-5-amine
CID 123976925
3,5-dimethylpiperidin-4-amine
CID 10171243
(1S,7R)-4-azatricyclo[5.2.1.02,6]decane
CID 55254914

Frequently Asked Questions

What is the IUPAC name of 3-azabicyclo[3.2.1]octan-8-amine?
The IUPAC name of 3-azabicyclo[3.2.1]octan-8-amine (CID 18540942) is 3-azabicyclo[3.2.1]octan-8-amine.
What is the SMILES notation for 3-azabicyclo[3.2.1]octan-8-amine?
The canonical SMILES for 3-azabicyclo[3.2.1]octan-8-amine is NC1C2CCC1CNC2.
What is the InChIKey of 3-azabicyclo[3.2.1]octan-8-amine?
The InChIKey is SFKAYSQAVXEORK-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H14N2/c8-7-5-1-2-6(7)4-9-3-5/h5-7,9H,1-4,8H2.
What are the key properties of 3-azabicyclo[3.2.1]octan-8-amine?
3-azabicyclo[3.2.1]octan-8-amine has a molecular weight of 126.20 g/mol, XLogP of -0.06, 0 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-azabicyclo[3.2.1]octan-8-amine is sourced from PubChem (CID 18540942), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).