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

C15H20N2 — CID 100910771

IUPAC1-[(1R,2S,4S)-2-bicyclo[2.2.1]hept-5-enyl]-N-methyl-N-(pyridin-4-ylmethyl)methanamine
SMILESCN(Cc1ccncc1)C[C@H]1C[C@H]2C=C[C@H]1C2
InChIInChI=1S/C15H20N2/c1-17(10-12-4-6-16-7-5-12)11-15-9-13-2-3-14(15)8-13/h2-7,13-15H,8-11H2,1H3/t13-,14-,15+/m0/s1
InChIKeyLXCWWATXIHYESU-SOUVJXGZSA-N
MW228.34 g/mol
LogP2.73
Rot. Bonds4

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

1-[(1R,2S,4S)-2-bicyclo[2.2.1]hept-5-enyl]-N-methyl-N-(pyridin-4-ylmethyl)methanamine (PubChem CID 100910771) has the molecular formula C15H20N2 and a molecular weight of 228.34 g/mol. Its IUPAC name is 1-[(1R,2S,4S)-2-bicyclo[2.2.1]hept-5-enyl]-N-methyl-N-(pyridin-4-ylmethyl)methanamine.

Molecular Properties

Compound Name1-[(1R,2S,4S)-2-bicyclo[2.2.1]hept-5-enyl]-N-methyl-N-(pyridin-4-ylmethyl)methanamine
PubChem CID100910771
Molecular FormulaC15H20N2
Molecular Weight228.34 g/mol
Exact Mass228.16
IUPAC Name1-[(1R,2S,4S)-2-bicyclo[2.2.1]hept-5-enyl]-N-methyl-N-(pyridin-4-ylmethyl)methanamine
SMILESCN(Cc1ccncc1)C[C@H]1C[C@H]2C=C[C@H]1C2
InChIInChI=1S/C15H20N2/c1-17(10-12-4-6-16-7-5-12)11-15-9-13-2-3-14(15)8-13/h2-7,13-15H,8-11H2,1H3/t13-,14-,15+/m0/s1
InChIKeyLXCWWATXIHYESU-SOUVJXGZSA-N
XLogP2.73
TPSA16.13 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500228.34
LogP ≤ 52.73
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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 1-[(1R,2S,4S)-2-bicyclo[2.2.1]hept-5-enyl]-N-methyl-N-(pyridin-4-ylmethyl)methanamine?
The IUPAC name of 1-[(1R,2S,4S)-2-bicyclo[2.2.1]hept-5-enyl]-N-methyl-N-(pyridin-4-ylmethyl)methanamine (CID 100910771) is 1-[(1R,2S,4S)-2-bicyclo[2.2.1]hept-5-enyl]-N-methyl-N-(pyridin-4-ylmethyl)methanamine.
What is the SMILES notation for 1-[(1R,2S,4S)-2-bicyclo[2.2.1]hept-5-enyl]-N-methyl-N-(pyridin-4-ylmethyl)methanamine?
The canonical SMILES for 1-[(1R,2S,4S)-2-bicyclo[2.2.1]hept-5-enyl]-N-methyl-N-(pyridin-4-ylmethyl)methanamine is CN(Cc1ccncc1)C[C@H]1C[C@H]2C=C[C@H]1C2.
What is the InChIKey of 1-[(1R,2S,4S)-2-bicyclo[2.2.1]hept-5-enyl]-N-methyl-N-(pyridin-4-ylmethyl)methanamine?
The InChIKey is LXCWWATXIHYESU-SOUVJXGZSA-N. The full InChI is InChI=1S/C15H20N2/c1-17(10-12-4-6-16-7-5-12)11-15-9-13-2-3-14(15)8-13/h2-7,13-15H,8-11H2,1H3/t13-,14-,15+/m0/s1.
What are the key properties of 1-[(1R,2S,4S)-2-bicyclo[2.2.1]hept-5-enyl]-N-methyl-N-(pyridin-4-ylmethyl)methanamine?
1-[(1R,2S,4S)-2-bicyclo[2.2.1]hept-5-enyl]-N-methyl-N-(pyridin-4-ylmethyl)methanamine has a molecular weight of 228.34 g/mol, XLogP of 2.73, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(1R,2S,4S)-2-bicyclo[2.2.1]hept-5-enyl]-N-methyl-N-(pyridin-4-ylmethyl)methanamine is sourced from PubChem (CID 100910771), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).