1-(8-methyl-8-azabicyclo[3.2.1]octan-3-yl)-N-[(1-methylimidazol-2-yl)methyl]methanamine

C14H24N4 — CID 55064728

IUPAC1-(8-methyl-8-azabicyclo[3.2.1]octan-3-yl)-N-[(1-methylimidazol-2-yl)methyl]methanamine
SMILESCN1C2CCC1CC(CNCc1nccn1C)C2
InChIInChI=1S/C14H24N4/c1-17-6-5-16-14(17)10-15-9-11-7-12-3-4-13(8-11)18(12)2/h5-6,11-13,15H,3-4,7-10H2,1-2H3
InChIKeyPYELOVUXXWOBEB-UHFFFAOYSA-N
MW248.37 g/mol
LogP1.38
Rot. Bonds4

About 1-(8-methyl-8-azabicyclo[3.2.1]octan-3-yl)-N-[(1-methylimidazol-2-yl)methyl]methanamine

1-(8-methyl-8-azabicyclo[3.2.1]octan-3-yl)-N-[(1-methylimidazol-2-yl)methyl]methanamine (PubChem CID 55064728) has the molecular formula C14H24N4 and a molecular weight of 248.37 g/mol. Its IUPAC name is 1-(8-methyl-8-azabicyclo[3.2.1]octan-3-yl)-N-[(1-methylimidazol-2-yl)methyl]methanamine.

Molecular Properties

Compound Name1-(8-methyl-8-azabicyclo[3.2.1]octan-3-yl)-N-[(1-methylimidazol-2-yl)methyl]methanamine
PubChem CID55064728
Molecular FormulaC14H24N4
Molecular Weight248.37 g/mol
Exact Mass248.20
IUPAC Name1-(8-methyl-8-azabicyclo[3.2.1]octan-3-yl)-N-[(1-methylimidazol-2-yl)methyl]methanamine
SMILESCN1C2CCC1CC(CNCc1nccn1C)C2
InChIInChI=1S/C14H24N4/c1-17-6-5-16-14(17)10-15-9-11-7-12-3-4-13(8-11)18(12)2/h5-6,11-13,15H,3-4,7-10H2,1-2H3
InChIKeyPYELOVUXXWOBEB-UHFFFAOYSA-N
XLogP1.38
TPSA33.09 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500248.37
LogP ≤ 51.38
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-(8-methyl-8-azabicyclo[3.2.1]octan-3-yl)-N-[(1-methylimidazol-2-yl)methyl]methanamine?
The IUPAC name of 1-(8-methyl-8-azabicyclo[3.2.1]octan-3-yl)-N-[(1-methylimidazol-2-yl)methyl]methanamine (CID 55064728) is 1-(8-methyl-8-azabicyclo[3.2.1]octan-3-yl)-N-[(1-methylimidazol-2-yl)methyl]methanamine.
What is the SMILES notation for 1-(8-methyl-8-azabicyclo[3.2.1]octan-3-yl)-N-[(1-methylimidazol-2-yl)methyl]methanamine?
The canonical SMILES for 1-(8-methyl-8-azabicyclo[3.2.1]octan-3-yl)-N-[(1-methylimidazol-2-yl)methyl]methanamine is CN1C2CCC1CC(CNCc1nccn1C)C2.
What is the InChIKey of 1-(8-methyl-8-azabicyclo[3.2.1]octan-3-yl)-N-[(1-methylimidazol-2-yl)methyl]methanamine?
The InChIKey is PYELOVUXXWOBEB-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H24N4/c1-17-6-5-16-14(17)10-15-9-11-7-12-3-4-13(8-11)18(12)2/h5-6,11-13,15H,3-4,7-10H2,1-2H3.
What are the key properties of 1-(8-methyl-8-azabicyclo[3.2.1]octan-3-yl)-N-[(1-methylimidazol-2-yl)methyl]methanamine?
1-(8-methyl-8-azabicyclo[3.2.1]octan-3-yl)-N-[(1-methylimidazol-2-yl)methyl]methanamine has a molecular weight of 248.37 g/mol, XLogP of 1.38, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(8-methyl-8-azabicyclo[3.2.1]octan-3-yl)-N-[(1-methylimidazol-2-yl)methyl]methanamine is sourced from PubChem (CID 55064728), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).