8-benzyl-N-(1H-imidazol-2-ylmethyl)-8-azabicyclo[3.2.1]octan-3-amine

C18H24N4 — CID 119128786

IUPAC8-benzyl-N-(1H-imidazol-2-ylmethyl)-8-azabicyclo[3.2.1]octan-3-amine
SMILESc1ccc(CN2C3CCC2CC(NCc2ncc[nH]2)C3)cc1
InChIInChI=1S/C18H24N4/c1-2-4-14(5-3-1)13-22-16-6-7-17(22)11-15(10-16)21-12-18-19-8-9-20-18/h1-5,8-9,15-17,21H,6-7,10-13H2,(H,19,20)
InChIKeyZEAKEBPYHJHXNH-UHFFFAOYSA-N
MW296.42 g/mol
LogP2.69
Rot. Bonds5

About 8-benzyl-N-(1H-imidazol-2-ylmethyl)-8-azabicyclo[3.2.1]octan-3-amine

8-benzyl-N-(1H-imidazol-2-ylmethyl)-8-azabicyclo[3.2.1]octan-3-amine (PubChem CID 119128786) has the molecular formula C18H24N4 and a molecular weight of 296.42 g/mol. Its IUPAC name is 8-benzyl-N-(1H-imidazol-2-ylmethyl)-8-azabicyclo[3.2.1]octan-3-amine.

Molecular Properties

Compound Name8-benzyl-N-(1H-imidazol-2-ylmethyl)-8-azabicyclo[3.2.1]octan-3-amine
PubChem CID119128786
Molecular FormulaC18H24N4
Molecular Weight296.42 g/mol
Exact Mass296.20
IUPAC Name8-benzyl-N-(1H-imidazol-2-ylmethyl)-8-azabicyclo[3.2.1]octan-3-amine
SMILESc1ccc(CN2C3CCC2CC(NCc2ncc[nH]2)C3)cc1
InChIInChI=1S/C18H24N4/c1-2-4-14(5-3-1)13-22-16-6-7-17(22)11-15(10-16)21-12-18-19-8-9-20-18/h1-5,8-9,15-17,21H,6-7,10-13H2,(H,19,20)
InChIKeyZEAKEBPYHJHXNH-UHFFFAOYSA-N
XLogP2.69
TPSA43.95 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500296.42
LogP ≤ 52.69
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 8-benzyl-N-(1H-imidazol-2-ylmethyl)-8-azabicyclo[3.2.1]octan-3-amine?
The IUPAC name of 8-benzyl-N-(1H-imidazol-2-ylmethyl)-8-azabicyclo[3.2.1]octan-3-amine (CID 119128786) is 8-benzyl-N-(1H-imidazol-2-ylmethyl)-8-azabicyclo[3.2.1]octan-3-amine.
What is the SMILES notation for 8-benzyl-N-(1H-imidazol-2-ylmethyl)-8-azabicyclo[3.2.1]octan-3-amine?
The canonical SMILES for 8-benzyl-N-(1H-imidazol-2-ylmethyl)-8-azabicyclo[3.2.1]octan-3-amine is c1ccc(CN2C3CCC2CC(NCc2ncc[nH]2)C3)cc1.
What is the InChIKey of 8-benzyl-N-(1H-imidazol-2-ylmethyl)-8-azabicyclo[3.2.1]octan-3-amine?
The InChIKey is ZEAKEBPYHJHXNH-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H24N4/c1-2-4-14(5-3-1)13-22-16-6-7-17(22)11-15(10-16)21-12-18-19-8-9-20-18/h1-5,8-9,15-17,21H,6-7,10-13H2,(H,19,20).
What are the key properties of 8-benzyl-N-(1H-imidazol-2-ylmethyl)-8-azabicyclo[3.2.1]octan-3-amine?
8-benzyl-N-(1H-imidazol-2-ylmethyl)-8-azabicyclo[3.2.1]octan-3-amine has a molecular weight of 296.42 g/mol, XLogP of 2.69, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 8-benzyl-N-(1H-imidazol-2-ylmethyl)-8-azabicyclo[3.2.1]octan-3-amine is sourced from PubChem (CID 119128786), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).