8-[(3-methylimidazol-4-yl)methyl]-8-azabicyclo[3.2.1]octan-3-amine

C12H20N4 — CID 66117332

IUPAC8-[(3-methylimidazol-4-yl)methyl]-8-azabicyclo[3.2.1]octan-3-amine
SMILESCn1cncc1CN1C2CCC1CC(N)C2
InChIInChI=1S/C12H20N4/c1-15-8-14-6-12(15)7-16-10-2-3-11(16)5-9(13)4-10/h6,8-11H,2-5,7,13H2,1H3
InChIKeyJFWNVEQJDCVMRF-UHFFFAOYSA-N
MW220.32 g/mol
LogP0.87
Rot. Bonds2

About 8-[(3-methylimidazol-4-yl)methyl]-8-azabicyclo[3.2.1]octan-3-amine

8-[(3-methylimidazol-4-yl)methyl]-8-azabicyclo[3.2.1]octan-3-amine (PubChem CID 66117332) has the molecular formula C12H20N4 and a molecular weight of 220.32 g/mol. Its IUPAC name is 8-[(3-methylimidazol-4-yl)methyl]-8-azabicyclo[3.2.1]octan-3-amine.

Molecular Properties

Compound Name8-[(3-methylimidazol-4-yl)methyl]-8-azabicyclo[3.2.1]octan-3-amine
PubChem CID66117332
Molecular FormulaC12H20N4
Molecular Weight220.32 g/mol
Exact Mass220.17
IUPAC Name8-[(3-methylimidazol-4-yl)methyl]-8-azabicyclo[3.2.1]octan-3-amine
SMILESCn1cncc1CN1C2CCC1CC(N)C2
InChIInChI=1S/C12H20N4/c1-15-8-14-6-12(15)7-16-10-2-3-11(16)5-9(13)4-10/h6,8-11H,2-5,7,13H2,1H3
InChIKeyJFWNVEQJDCVMRF-UHFFFAOYSA-N
XLogP0.87
TPSA47.08 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500220.32
LogP ≤ 50.87
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 8-[(3-methylimidazol-4-yl)methyl]-8-azabicyclo[3.2.1]octan-3-amine?
The IUPAC name of 8-[(3-methylimidazol-4-yl)methyl]-8-azabicyclo[3.2.1]octan-3-amine (CID 66117332) is 8-[(3-methylimidazol-4-yl)methyl]-8-azabicyclo[3.2.1]octan-3-amine.
What is the SMILES notation for 8-[(3-methylimidazol-4-yl)methyl]-8-azabicyclo[3.2.1]octan-3-amine?
The canonical SMILES for 8-[(3-methylimidazol-4-yl)methyl]-8-azabicyclo[3.2.1]octan-3-amine is Cn1cncc1CN1C2CCC1CC(N)C2.
What is the InChIKey of 8-[(3-methylimidazol-4-yl)methyl]-8-azabicyclo[3.2.1]octan-3-amine?
The InChIKey is JFWNVEQJDCVMRF-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H20N4/c1-15-8-14-6-12(15)7-16-10-2-3-11(16)5-9(13)4-10/h6,8-11H,2-5,7,13H2,1H3.
What are the key properties of 8-[(3-methylimidazol-4-yl)methyl]-8-azabicyclo[3.2.1]octan-3-amine?
8-[(3-methylimidazol-4-yl)methyl]-8-azabicyclo[3.2.1]octan-3-amine has a molecular weight of 220.32 g/mol, XLogP of 0.87, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 8-[(3-methylimidazol-4-yl)methyl]-8-azabicyclo[3.2.1]octan-3-amine is sourced from PubChem (CID 66117332), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).