1-azabicyclo[3.2.1]octan-6-ylmethanamine

C8H16N2 — CID 170914536

IUPAC1-azabicyclo[3.2.1]octan-6-ylmethanamine
SMILESNCC1CN2CCCC1C2
InChIInChI=1S/C8H16N2/c9-4-8-6-10-3-1-2-7(8)5-10/h7-8H,1-6,9H2
InChIKeyGCJPEFLABDCADY-UHFFFAOYSA-N
MW140.23 g/mol
LogP0.29
Rot. Bonds1

About 1-azabicyclo[3.2.1]octan-6-ylmethanamine

1-azabicyclo[3.2.1]octan-6-ylmethanamine (PubChem CID 170914536) has the molecular formula C8H16N2 and a molecular weight of 140.23 g/mol. Its IUPAC name is 1-azabicyclo[3.2.1]octan-6-ylmethanamine.

Molecular Properties

Compound Name1-azabicyclo[3.2.1]octan-6-ylmethanamine
PubChem CID170914536
Molecular FormulaC8H16N2
Molecular Weight140.23 g/mol
Exact Mass140.13
IUPAC Name1-azabicyclo[3.2.1]octan-6-ylmethanamine
SMILESNCC1CN2CCCC1C2
InChIInChI=1S/C8H16N2/c9-4-8-6-10-3-1-2-7(8)5-10/h7-8H,1-6,9H2
InChIKeyGCJPEFLABDCADY-UHFFFAOYSA-N
XLogP0.29
TPSA29.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500140.23
LogP ≤ 50.29
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1-azabicyclo[3.2.1]octan-6-ylmethanamine?
The IUPAC name of 1-azabicyclo[3.2.1]octan-6-ylmethanamine (CID 170914536) is 1-azabicyclo[3.2.1]octan-6-ylmethanamine.
What is the SMILES notation for 1-azabicyclo[3.2.1]octan-6-ylmethanamine?
The canonical SMILES for 1-azabicyclo[3.2.1]octan-6-ylmethanamine is NCC1CN2CCCC1C2.
What is the InChIKey of 1-azabicyclo[3.2.1]octan-6-ylmethanamine?
The InChIKey is GCJPEFLABDCADY-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H16N2/c9-4-8-6-10-3-1-2-7(8)5-10/h7-8H,1-6,9H2.
What are the key properties of 1-azabicyclo[3.2.1]octan-6-ylmethanamine?
1-azabicyclo[3.2.1]octan-6-ylmethanamine has a molecular weight of 140.23 g/mol, XLogP of 0.29, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-azabicyclo[3.2.1]octan-6-ylmethanamine is sourced from PubChem (CID 170914536), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).