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

C9H15N — CID 15193955

IUPAC[(1S,2R,4S)-2-methyl-2-bicyclo[2.2.1]hept-5-enyl]methanamine
SMILESC[C@@]1(CN)C[C@H]2C=C[C@@H]1C2
InChIInChI=1S/C9H15N/c1-9(6-10)5-7-2-3-8(9)4-7/h2-3,7-8H,4-6,10H2,1H3/t7-,8+,9-/m0/s1
InChIKeySAFZYLFJZOUNMP-YIZRAAEISA-N
MW137.23 g/mol
LogP1.55
Rot. Bonds1

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

[(1S,2R,4S)-2-methyl-2-bicyclo[2.2.1]hept-5-enyl]methanamine (PubChem CID 15193955) has the molecular formula C9H15N and a molecular weight of 137.23 g/mol. Its IUPAC name is [(1S,2R,4S)-2-methyl-2-bicyclo[2.2.1]hept-5-enyl]methanamine.

Molecular Properties

Compound Name[(1S,2R,4S)-2-methyl-2-bicyclo[2.2.1]hept-5-enyl]methanamine
PubChem CID15193955
Molecular FormulaC9H15N
Molecular Weight137.23 g/mol
Exact Mass137.12
IUPAC Name[(1S,2R,4S)-2-methyl-2-bicyclo[2.2.1]hept-5-enyl]methanamine
SMILESC[C@@]1(CN)C[C@H]2C=C[C@@H]1C2
InChIInChI=1S/C9H15N/c1-9(6-10)5-7-2-3-8(9)4-7/h2-3,7-8H,4-6,10H2,1H3/t7-,8+,9-/m0/s1
InChIKeySAFZYLFJZOUNMP-YIZRAAEISA-N
XLogP1.55
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500137.23
LogP ≤ 51.55
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-methyl-2-bicyclo[2.2.1]hept-5-enyl]methanamine?
The IUPAC name of [(1S,2R,4S)-2-methyl-2-bicyclo[2.2.1]hept-5-enyl]methanamine (CID 15193955) is [(1S,2R,4S)-2-methyl-2-bicyclo[2.2.1]hept-5-enyl]methanamine.
What is the SMILES notation for [(1S,2R,4S)-2-methyl-2-bicyclo[2.2.1]hept-5-enyl]methanamine?
The canonical SMILES for [(1S,2R,4S)-2-methyl-2-bicyclo[2.2.1]hept-5-enyl]methanamine is C[C@@]1(CN)C[C@H]2C=C[C@@H]1C2.
What is the InChIKey of [(1S,2R,4S)-2-methyl-2-bicyclo[2.2.1]hept-5-enyl]methanamine?
The InChIKey is SAFZYLFJZOUNMP-YIZRAAEISA-N. The full InChI is InChI=1S/C9H15N/c1-9(6-10)5-7-2-3-8(9)4-7/h2-3,7-8H,4-6,10H2,1H3/t7-,8+,9-/m0/s1.
What are the key properties of [(1S,2R,4S)-2-methyl-2-bicyclo[2.2.1]hept-5-enyl]methanamine?
[(1S,2R,4S)-2-methyl-2-bicyclo[2.2.1]hept-5-enyl]methanamine has a molecular weight of 137.23 g/mol, XLogP of 1.55, 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-methyl-2-bicyclo[2.2.1]hept-5-enyl]methanamine is sourced from PubChem (CID 15193955), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).