N-[1-(2-methoxyethyl)-4-methylimidazol-2-yl]-N-methyl-8-azabicyclo[3.2.1]octan-3-amine

C15H26N4O — CID 106552110

IUPACN-[1-(2-methoxyethyl)-4-methylimidazol-2-yl]-N-methyl-8-azabicyclo[3.2.1]octan-3-amine
SMILESCOCCn1cc(C)nc1N(C)C1CC2CCC(C1)N2
InChIInChI=1S/C15H26N4O/c1-11-10-19(6-7-20-3)15(16-11)18(2)14-8-12-4-5-13(9-14)17-12/h10,12-14,17H,4-9H2,1-3H3
InChIKeyQHTJRFIQMNSLAS-UHFFFAOYSA-N
MW278.40 g/mol
LogP1.56
Rot. Bonds5

About N-[1-(2-methoxyethyl)-4-methylimidazol-2-yl]-N-methyl-8-azabicyclo[3.2.1]octan-3-amine

N-[1-(2-methoxyethyl)-4-methylimidazol-2-yl]-N-methyl-8-azabicyclo[3.2.1]octan-3-amine (PubChem CID 106552110) has the molecular formula C15H26N4O and a molecular weight of 278.40 g/mol. Its IUPAC name is N-[1-(2-methoxyethyl)-4-methylimidazol-2-yl]-N-methyl-8-azabicyclo[3.2.1]octan-3-amine.

Molecular Properties

Compound NameN-[1-(2-methoxyethyl)-4-methylimidazol-2-yl]-N-methyl-8-azabicyclo[3.2.1]octan-3-amine
PubChem CID106552110
Molecular FormulaC15H26N4O
Molecular Weight278.40 g/mol
Exact Mass278.21
IUPAC NameN-[1-(2-methoxyethyl)-4-methylimidazol-2-yl]-N-methyl-8-azabicyclo[3.2.1]octan-3-amine
SMILESCOCCn1cc(C)nc1N(C)C1CC2CCC(C1)N2
InChIInChI=1S/C15H26N4O/c1-11-10-19(6-7-20-3)15(16-11)18(2)14-8-12-4-5-13(9-14)17-12/h10,12-14,17H,4-9H2,1-3H3
InChIKeyQHTJRFIQMNSLAS-UHFFFAOYSA-N
XLogP1.56
TPSA42.32 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.40
LogP ≤ 51.56
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-[1-(2-methoxyethyl)-4-methylimidazol-2-yl]-N-methyl-8-azabicyclo[3.2.1]octan-3-amine?
The IUPAC name of N-[1-(2-methoxyethyl)-4-methylimidazol-2-yl]-N-methyl-8-azabicyclo[3.2.1]octan-3-amine (CID 106552110) is N-[1-(2-methoxyethyl)-4-methylimidazol-2-yl]-N-methyl-8-azabicyclo[3.2.1]octan-3-amine.
What is the SMILES notation for N-[1-(2-methoxyethyl)-4-methylimidazol-2-yl]-N-methyl-8-azabicyclo[3.2.1]octan-3-amine?
The canonical SMILES for N-[1-(2-methoxyethyl)-4-methylimidazol-2-yl]-N-methyl-8-azabicyclo[3.2.1]octan-3-amine is COCCn1cc(C)nc1N(C)C1CC2CCC(C1)N2.
What is the InChIKey of N-[1-(2-methoxyethyl)-4-methylimidazol-2-yl]-N-methyl-8-azabicyclo[3.2.1]octan-3-amine?
The InChIKey is QHTJRFIQMNSLAS-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H26N4O/c1-11-10-19(6-7-20-3)15(16-11)18(2)14-8-12-4-5-13(9-14)17-12/h10,12-14,17H,4-9H2,1-3H3.
What are the key properties of N-[1-(2-methoxyethyl)-4-methylimidazol-2-yl]-N-methyl-8-azabicyclo[3.2.1]octan-3-amine?
N-[1-(2-methoxyethyl)-4-methylimidazol-2-yl]-N-methyl-8-azabicyclo[3.2.1]octan-3-amine has a molecular weight of 278.40 g/mol, XLogP of 1.56, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(2-methoxyethyl)-4-methylimidazol-2-yl]-N-methyl-8-azabicyclo[3.2.1]octan-3-amine is sourced from PubChem (CID 106552110), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).