(1S,5R,6R)-bicyclo[3.2.1]octan-6-amine

C8H15N — CID 14638743

IUPAC(1S,5R,6R)-bicyclo[3.2.1]octan-6-amine
SMILESN[C@@H]1C[C@H]2CCC[C@@H]1C2
InChIInChI=1S/C8H15N/c9-8-5-6-2-1-3-7(8)4-6/h6-8H,1-5,9H2/t6-,7+,8+/m0/s1
InChIKeyBGBAVYALYDGPOF-XLPZGREQSA-N
MW125.22 g/mol
LogP1.52
Rot. Bonds

About (1S,5R,6R)-bicyclo[3.2.1]octan-6-amine

(1S,5R,6R)-bicyclo[3.2.1]octan-6-amine (PubChem CID 14638743) has the molecular formula C8H15N and a molecular weight of 125.22 g/mol. Its IUPAC name is (1S,5R,6R)-bicyclo[3.2.1]octan-6-amine.

Molecular Properties

Compound Name(1S,5R,6R)-bicyclo[3.2.1]octan-6-amine
PubChem CID14638743
Molecular FormulaC8H15N
Molecular Weight125.22 g/mol
Exact Mass125.12
IUPAC Name(1S,5R,6R)-bicyclo[3.2.1]octan-6-amine
SMILESN[C@@H]1C[C@H]2CCC[C@@H]1C2
InChIInChI=1S/C8H15N/c9-8-5-6-2-1-3-7(8)4-6/h6-8H,1-5,9H2/t6-,7+,8+/m0/s1
InChIKeyBGBAVYALYDGPOF-XLPZGREQSA-N
XLogP1.52
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500125.22
LogP ≤ 51.52
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of (1S,5R,6R)-bicyclo[3.2.1]octan-6-amine?
The IUPAC name of (1S,5R,6R)-bicyclo[3.2.1]octan-6-amine (CID 14638743) is (1S,5R,6R)-bicyclo[3.2.1]octan-6-amine.
What is the SMILES notation for (1S,5R,6R)-bicyclo[3.2.1]octan-6-amine?
The canonical SMILES for (1S,5R,6R)-bicyclo[3.2.1]octan-6-amine is N[C@@H]1C[C@H]2CCC[C@@H]1C2.
What is the InChIKey of (1S,5R,6R)-bicyclo[3.2.1]octan-6-amine?
The InChIKey is BGBAVYALYDGPOF-XLPZGREQSA-N. The full InChI is InChI=1S/C8H15N/c9-8-5-6-2-1-3-7(8)4-6/h6-8H,1-5,9H2/t6-,7+,8+/m0/s1.
What are the key properties of (1S,5R,6R)-bicyclo[3.2.1]octan-6-amine?
(1S,5R,6R)-bicyclo[3.2.1]octan-6-amine has a molecular weight of 125.22 g/mol, XLogP of 1.52, 0 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (1S,5R,6R)-bicyclo[3.2.1]octan-6-amine is sourced from PubChem (CID 14638743), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).