8-[(5-methyl-1H-imidazol-4-yl)methyl]-8-azabicyclo[3.2.1]octan-3-amine

C12H20N4 — CID 13276738

IUPAC8-[(5-methyl-1H-imidazol-4-yl)methyl]-8-azabicyclo[3.2.1]octan-3-amine
SMILESCc1[nH]cnc1CN1C2CCC1CC(N)C2
InChIInChI=1S/C12H20N4/c1-8-12(15-7-14-8)6-16-10-2-3-11(16)5-9(13)4-10/h7,9-11H,2-6,13H2,1H3,(H,14,15)
InChIKeyXQOOZQUQLDTXGW-UHFFFAOYSA-N
MW220.32 g/mol
LogP1.17
Rot. Bonds2

About 8-[(5-methyl-1H-imidazol-4-yl)methyl]-8-azabicyclo[3.2.1]octan-3-amine

8-[(5-methyl-1H-imidazol-4-yl)methyl]-8-azabicyclo[3.2.1]octan-3-amine (PubChem CID 13276738) has the molecular formula C12H20N4 and a molecular weight of 220.32 g/mol. Its IUPAC name is 8-[(5-methyl-1H-imidazol-4-yl)methyl]-8-azabicyclo[3.2.1]octan-3-amine.

Molecular Properties

Compound Name8-[(5-methyl-1H-imidazol-4-yl)methyl]-8-azabicyclo[3.2.1]octan-3-amine
PubChem CID13276738
Molecular FormulaC12H20N4
Molecular Weight220.32 g/mol
Exact Mass220.17
IUPAC Name8-[(5-methyl-1H-imidazol-4-yl)methyl]-8-azabicyclo[3.2.1]octan-3-amine
SMILESCc1[nH]cnc1CN1C2CCC1CC(N)C2
InChIInChI=1S/C12H20N4/c1-8-12(15-7-14-8)6-16-10-2-3-11(16)5-9(13)4-10/h7,9-11H,2-6,13H2,1H3,(H,14,15)
InChIKeyXQOOZQUQLDTXGW-UHFFFAOYSA-N
XLogP1.17
TPSA57.94 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500220.32
LogP ≤ 51.17
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 8-[(5-methyl-1H-imidazol-4-yl)methyl]-8-azabicyclo[3.2.1]octan-3-amine?
The IUPAC name of 8-[(5-methyl-1H-imidazol-4-yl)methyl]-8-azabicyclo[3.2.1]octan-3-amine (CID 13276738) is 8-[(5-methyl-1H-imidazol-4-yl)methyl]-8-azabicyclo[3.2.1]octan-3-amine.
What is the SMILES notation for 8-[(5-methyl-1H-imidazol-4-yl)methyl]-8-azabicyclo[3.2.1]octan-3-amine?
The canonical SMILES for 8-[(5-methyl-1H-imidazol-4-yl)methyl]-8-azabicyclo[3.2.1]octan-3-amine is Cc1[nH]cnc1CN1C2CCC1CC(N)C2.
What is the InChIKey of 8-[(5-methyl-1H-imidazol-4-yl)methyl]-8-azabicyclo[3.2.1]octan-3-amine?
The InChIKey is XQOOZQUQLDTXGW-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H20N4/c1-8-12(15-7-14-8)6-16-10-2-3-11(16)5-9(13)4-10/h7,9-11H,2-6,13H2,1H3,(H,14,15).
What are the key properties of 8-[(5-methyl-1H-imidazol-4-yl)methyl]-8-azabicyclo[3.2.1]octan-3-amine?
8-[(5-methyl-1H-imidazol-4-yl)methyl]-8-azabicyclo[3.2.1]octan-3-amine has a molecular weight of 220.32 g/mol, XLogP of 1.17, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 8-[(5-methyl-1H-imidazol-4-yl)methyl]-8-azabicyclo[3.2.1]octan-3-amine is sourced from PubChem (CID 13276738), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).