[(1R,7R,8S)-8-ethyl-8-bicyclo[5.2.0]nonanyl]methanamine

C12H23N — CID 149036718

IUPAC[(1R,7R,8S)-8-ethyl-8-bicyclo[5.2.0]nonanyl]methanamine
SMILESCC[C@]1(CN)C[C@H]2CCCCC[C@H]21
InChIInChI=1S/C12H23N/c1-2-12(9-13)8-10-6-4-3-5-7-11(10)12/h10-11H,2-9,13H2,1H3/t10-,11-,12-/m1/s1
InChIKeyQGTQKPVRHMCGQA-IJLUTSLNSA-N
MW181.32 g/mol
LogP2.94
Rot. Bonds2

About [(1R,7R,8S)-8-ethyl-8-bicyclo[5.2.0]nonanyl]methanamine

[(1R,7R,8S)-8-ethyl-8-bicyclo[5.2.0]nonanyl]methanamine (PubChem CID 149036718) has the molecular formula C12H23N and a molecular weight of 181.32 g/mol. Its IUPAC name is [(1R,7R,8S)-8-ethyl-8-bicyclo[5.2.0]nonanyl]methanamine.

Molecular Properties

Compound Name[(1R,7R,8S)-8-ethyl-8-bicyclo[5.2.0]nonanyl]methanamine
PubChem CID149036718
Molecular FormulaC12H23N
Molecular Weight181.32 g/mol
Exact Mass181.18
IUPAC Name[(1R,7R,8S)-8-ethyl-8-bicyclo[5.2.0]nonanyl]methanamine
SMILESCC[C@]1(CN)C[C@H]2CCCCC[C@H]21
InChIInChI=1S/C12H23N/c1-2-12(9-13)8-10-6-4-3-5-7-11(10)12/h10-11H,2-9,13H2,1H3/t10-,11-,12-/m1/s1
InChIKeyQGTQKPVRHMCGQA-IJLUTSLNSA-N
XLogP2.94
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500181.32
LogP ≤ 52.94
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of [(1R,7R,8S)-8-ethyl-8-bicyclo[5.2.0]nonanyl]methanamine?
The IUPAC name of [(1R,7R,8S)-8-ethyl-8-bicyclo[5.2.0]nonanyl]methanamine (CID 149036718) is [(1R,7R,8S)-8-ethyl-8-bicyclo[5.2.0]nonanyl]methanamine.
What is the SMILES notation for [(1R,7R,8S)-8-ethyl-8-bicyclo[5.2.0]nonanyl]methanamine?
The canonical SMILES for [(1R,7R,8S)-8-ethyl-8-bicyclo[5.2.0]nonanyl]methanamine is CC[C@]1(CN)C[C@H]2CCCCC[C@H]21.
What is the InChIKey of [(1R,7R,8S)-8-ethyl-8-bicyclo[5.2.0]nonanyl]methanamine?
The InChIKey is QGTQKPVRHMCGQA-IJLUTSLNSA-N. The full InChI is InChI=1S/C12H23N/c1-2-12(9-13)8-10-6-4-3-5-7-11(10)12/h10-11H,2-9,13H2,1H3/t10-,11-,12-/m1/s1.
What are the key properties of [(1R,7R,8S)-8-ethyl-8-bicyclo[5.2.0]nonanyl]methanamine?
[(1R,7R,8S)-8-ethyl-8-bicyclo[5.2.0]nonanyl]methanamine has a molecular weight of 181.32 g/mol, XLogP of 2.94, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for [(1R,7R,8S)-8-ethyl-8-bicyclo[5.2.0]nonanyl]methanamine is sourced from PubChem (CID 149036718), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).