1-(2-bicyclo[2.2.1]hept-5-enyl)-N-[(2-imidazol-1-yl-4-pyridinyl)methyl]methanamine

C17H20N4 — CID 75377962

IUPAC1-(2-bicyclo[2.2.1]hept-5-enyl)-N-[(2-imidazol-1-yl-4-pyridinyl)methyl]methanamine
SMILESC1=CC2CC1CC2CNCc1ccnc(-n2ccnc2)c1
InChIInChI=1S/C17H20N4/c1-2-15-7-13(1)8-16(15)11-19-10-14-3-4-20-17(9-14)21-6-5-18-12-21/h1-6,9,12-13,15-16,19H,7-8,10-11H2
InChIKeyLOHYKVIEWUNLMU-UHFFFAOYSA-N
MW280.38 g/mol
LogP2.57
Rot. Bonds5

About 1-(2-bicyclo[2.2.1]hept-5-enyl)-N-[(2-imidazol-1-yl-4-pyridinyl)methyl]methanamine

1-(2-bicyclo[2.2.1]hept-5-enyl)-N-[(2-imidazol-1-yl-4-pyridinyl)methyl]methanamine (PubChem CID 75377962) has the molecular formula C17H20N4 and a molecular weight of 280.38 g/mol. Its IUPAC name is 1-(2-bicyclo[2.2.1]hept-5-enyl)-N-[(2-imidazol-1-yl-4-pyridinyl)methyl]methanamine.

Molecular Properties

Compound Name1-(2-bicyclo[2.2.1]hept-5-enyl)-N-[(2-imidazol-1-yl-4-pyridinyl)methyl]methanamine
PubChem CID75377962
Molecular FormulaC17H20N4
Molecular Weight280.38 g/mol
Exact Mass280.17
IUPAC Name1-(2-bicyclo[2.2.1]hept-5-enyl)-N-[(2-imidazol-1-yl-4-pyridinyl)methyl]methanamine
SMILESC1=CC2CC1CC2CNCc1ccnc(-n2ccnc2)c1
InChIInChI=1S/C17H20N4/c1-2-15-7-13(1)8-16(15)11-19-10-14-3-4-20-17(9-14)21-6-5-18-12-21/h1-6,9,12-13,15-16,19H,7-8,10-11H2
InChIKeyLOHYKVIEWUNLMU-UHFFFAOYSA-N
XLogP2.57
TPSA42.74 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500280.38
LogP ≤ 52.57
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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-(2-bicyclo[2.2.1]hept-5-enyl)-N-[(2-imidazol-1-yl-4-pyridinyl)methyl]methanamine?
The IUPAC name of 1-(2-bicyclo[2.2.1]hept-5-enyl)-N-[(2-imidazol-1-yl-4-pyridinyl)methyl]methanamine (CID 75377962) is 1-(2-bicyclo[2.2.1]hept-5-enyl)-N-[(2-imidazol-1-yl-4-pyridinyl)methyl]methanamine.
What is the SMILES notation for 1-(2-bicyclo[2.2.1]hept-5-enyl)-N-[(2-imidazol-1-yl-4-pyridinyl)methyl]methanamine?
The canonical SMILES for 1-(2-bicyclo[2.2.1]hept-5-enyl)-N-[(2-imidazol-1-yl-4-pyridinyl)methyl]methanamine is C1=CC2CC1CC2CNCc1ccnc(-n2ccnc2)c1.
What is the InChIKey of 1-(2-bicyclo[2.2.1]hept-5-enyl)-N-[(2-imidazol-1-yl-4-pyridinyl)methyl]methanamine?
The InChIKey is LOHYKVIEWUNLMU-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H20N4/c1-2-15-7-13(1)8-16(15)11-19-10-14-3-4-20-17(9-14)21-6-5-18-12-21/h1-6,9,12-13,15-16,19H,7-8,10-11H2.
What are the key properties of 1-(2-bicyclo[2.2.1]hept-5-enyl)-N-[(2-imidazol-1-yl-4-pyridinyl)methyl]methanamine?
1-(2-bicyclo[2.2.1]hept-5-enyl)-N-[(2-imidazol-1-yl-4-pyridinyl)methyl]methanamine has a molecular weight of 280.38 g/mol, XLogP of 2.57, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-bicyclo[2.2.1]hept-5-enyl)-N-[(2-imidazol-1-yl-4-pyridinyl)methyl]methanamine is sourced from PubChem (CID 75377962), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).