[(1S,2R,4S)-2-bicyclo[2.2.1]hept-5-enyl]methanamine

C8H13N — CID 11885373

IUPAC[(1S,2R,4S)-2-bicyclo[2.2.1]hept-5-enyl]methanamine
SMILESNC[C@@H]1C[C@H]2C=C[C@@H]1C2
InChIInChI=1S/C8H13N/c9-5-8-4-6-1-2-7(8)3-6/h1-2,6-8H,3-5,9H2/t6-,7+,8-/m0/s1
InChIKeyXLBALIGLOMYEKN-RNJXMRFFSA-N
MW123.20 g/mol
LogP1.16
Rot. Bonds1

About [(1S,2R,4S)-2-bicyclo[2.2.1]hept-5-enyl]methanamine

[(1S,2R,4S)-2-bicyclo[2.2.1]hept-5-enyl]methanamine (PubChem CID 11885373) has the molecular formula C8H13N and a molecular weight of 123.20 g/mol. Its IUPAC name is [(1S,2R,4S)-2-bicyclo[2.2.1]hept-5-enyl]methanamine.

Molecular Properties

Compound Name[(1S,2R,4S)-2-bicyclo[2.2.1]hept-5-enyl]methanamine
PubChem CID11885373
Molecular FormulaC8H13N
Molecular Weight123.20 g/mol
Exact Mass123.10
IUPAC Name[(1S,2R,4S)-2-bicyclo[2.2.1]hept-5-enyl]methanamine
SMILESNC[C@@H]1C[C@H]2C=C[C@@H]1C2
InChIInChI=1S/C8H13N/c9-5-8-4-6-1-2-7(8)3-6/h1-2,6-8H,3-5,9H2/t6-,7+,8-/m0/s1
InChIKeyXLBALIGLOMYEKN-RNJXMRFFSA-N
XLogP1.16
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500123.20
LogP ≤ 51.16
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of [(1S,2R,4S)-2-bicyclo[2.2.1]hept-5-enyl]methanamine?
The IUPAC name of [(1S,2R,4S)-2-bicyclo[2.2.1]hept-5-enyl]methanamine (CID 11885373) is [(1S,2R,4S)-2-bicyclo[2.2.1]hept-5-enyl]methanamine.
What is the SMILES notation for [(1S,2R,4S)-2-bicyclo[2.2.1]hept-5-enyl]methanamine?
The canonical SMILES for [(1S,2R,4S)-2-bicyclo[2.2.1]hept-5-enyl]methanamine is NC[C@@H]1C[C@H]2C=C[C@@H]1C2.
What is the InChIKey of [(1S,2R,4S)-2-bicyclo[2.2.1]hept-5-enyl]methanamine?
The InChIKey is XLBALIGLOMYEKN-RNJXMRFFSA-N. The full InChI is InChI=1S/C8H13N/c9-5-8-4-6-1-2-7(8)3-6/h1-2,6-8H,3-5,9H2/t6-,7+,8-/m0/s1.
What are the key properties of [(1S,2R,4S)-2-bicyclo[2.2.1]hept-5-enyl]methanamine?
[(1S,2R,4S)-2-bicyclo[2.2.1]hept-5-enyl]methanamine has a molecular weight of 123.20 g/mol, XLogP of 1.16, 1 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for [(1S,2R,4S)-2-bicyclo[2.2.1]hept-5-enyl]methanamine is sourced from PubChem (CID 11885373), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).