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

C7H14N2 — CID 54266623

IUPAC(1S,6S)-3-azabicyclo[4.2.0]octan-6-amine
SMILESN[C@@]12CCNC[C@@H]1CC2
InChIInChI=1S/C7H14N2/c8-7-2-1-6(7)5-9-4-3-7/h6,9H,1-5,8H2/t6-,7-/m0/s1
InChIKeyRHEWRFDXODLVPE-BQBZGAKWSA-N
MW126.20 g/mol
LogP0.09
Rot. Bonds

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

(1S,6S)-3-azabicyclo[4.2.0]octan-6-amine (PubChem CID 54266623) has the molecular formula C7H14N2 and a molecular weight of 126.20 g/mol. Its IUPAC name is (1S,6S)-3-azabicyclo[4.2.0]octan-6-amine.

Molecular Properties

Compound Name(1S,6S)-3-azabicyclo[4.2.0]octan-6-amine
PubChem CID54266623
Molecular FormulaC7H14N2
Molecular Weight126.20 g/mol
Exact Mass126.12
IUPAC Name(1S,6S)-3-azabicyclo[4.2.0]octan-6-amine
SMILESN[C@@]12CCNC[C@@H]1CC2
InChIInChI=1S/C7H14N2/c8-7-2-1-6(7)5-9-4-3-7/h6,9H,1-5,8H2/t6-,7-/m0/s1
InChIKeyRHEWRFDXODLVPE-BQBZGAKWSA-N
XLogP0.09
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 ≤ 50.09
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of (1S,6S)-3-azabicyclo[4.2.0]octan-6-amine?
The IUPAC name of (1S,6S)-3-azabicyclo[4.2.0]octan-6-amine (CID 54266623) is (1S,6S)-3-azabicyclo[4.2.0]octan-6-amine.
What is the SMILES notation for (1S,6S)-3-azabicyclo[4.2.0]octan-6-amine?
The canonical SMILES for (1S,6S)-3-azabicyclo[4.2.0]octan-6-amine is N[C@@]12CCNC[C@@H]1CC2.
What is the InChIKey of (1S,6S)-3-azabicyclo[4.2.0]octan-6-amine?
The InChIKey is RHEWRFDXODLVPE-BQBZGAKWSA-N. The full InChI is InChI=1S/C7H14N2/c8-7-2-1-6(7)5-9-4-3-7/h6,9H,1-5,8H2/t6-,7-/m0/s1.
What are the key properties of (1S,6S)-3-azabicyclo[4.2.0]octan-6-amine?
(1S,6S)-3-azabicyclo[4.2.0]octan-6-amine has a molecular weight of 126.20 g/mol, XLogP of 0.09, 0 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (1S,6S)-3-azabicyclo[4.2.0]octan-6-amine is sourced from PubChem (CID 54266623), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).