(1R,6S,8R)-3-azabicyclo[4.2.0]octan-8-amine

C7H14N2 — CID 22862086

IUPAC(1R,6S,8R)-3-azabicyclo[4.2.0]octan-8-amine
SMILESN[C@@H]1C[C@@H]2CCNC[C@@H]21
InChIInChI=1S/C7H14N2/c8-7-3-5-1-2-9-4-6(5)7/h5-7,9H,1-4,8H2/t5-,6-,7+/m0/s1
InChIKeyBCVQNNYIBKSEDZ-LYFYHCNISA-N
MW126.20 g/mol
LogP-0.06
Rot. Bonds

About (1R,6S,8R)-3-azabicyclo[4.2.0]octan-8-amine

(1R,6S,8R)-3-azabicyclo[4.2.0]octan-8-amine (PubChem CID 22862086) has the molecular formula C7H14N2 and a molecular weight of 126.20 g/mol. Its IUPAC name is (1R,6S,8R)-3-azabicyclo[4.2.0]octan-8-amine.

Molecular Properties

Compound Name(1R,6S,8R)-3-azabicyclo[4.2.0]octan-8-amine
PubChem CID22862086
Molecular FormulaC7H14N2
Molecular Weight126.20 g/mol
Exact Mass126.12
IUPAC Name(1R,6S,8R)-3-azabicyclo[4.2.0]octan-8-amine
SMILESN[C@@H]1C[C@@H]2CCNC[C@@H]21
InChIInChI=1S/C7H14N2/c8-7-3-5-1-2-9-4-6(5)7/h5-7,9H,1-4,8H2/t5-,6-,7+/m0/s1
InChIKeyBCVQNNYIBKSEDZ-LYFYHCNISA-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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Frequently Asked Questions

What is the IUPAC name of (1R,6S,8R)-3-azabicyclo[4.2.0]octan-8-amine?
The IUPAC name of (1R,6S,8R)-3-azabicyclo[4.2.0]octan-8-amine (CID 22862086) is (1R,6S,8R)-3-azabicyclo[4.2.0]octan-8-amine.
What is the SMILES notation for (1R,6S,8R)-3-azabicyclo[4.2.0]octan-8-amine?
The canonical SMILES for (1R,6S,8R)-3-azabicyclo[4.2.0]octan-8-amine is N[C@@H]1C[C@@H]2CCNC[C@@H]21.
What is the InChIKey of (1R,6S,8R)-3-azabicyclo[4.2.0]octan-8-amine?
The InChIKey is BCVQNNYIBKSEDZ-LYFYHCNISA-N. The full InChI is InChI=1S/C7H14N2/c8-7-3-5-1-2-9-4-6(5)7/h5-7,9H,1-4,8H2/t5-,6-,7+/m0/s1.
What are the key properties of (1R,6S,8R)-3-azabicyclo[4.2.0]octan-8-amine?
(1R,6S,8R)-3-azabicyclo[4.2.0]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 (1R,6S,8R)-3-azabicyclo[4.2.0]octan-8-amine is sourced from PubChem (CID 22862086), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).