N-ethyl-2-(1-methylimidazol-2-yl)-1-(7-oxabicyclo[2.2.1]heptan-2-yl)ethanamine

C14H23N3O — CID 79751721

IUPACN-ethyl-2-(1-methylimidazol-2-yl)-1-(7-oxabicyclo[2.2.1]heptan-2-yl)ethanamine
SMILESCCNC(Cc1nccn1C)C1CC2CCC1O2
InChIInChI=1S/C14H23N3O/c1-3-15-12(9-14-16-6-7-17(14)2)11-8-10-4-5-13(11)18-10/h6-7,10-13,15H,3-5,8-9H2,1-2H3
InChIKeySKPQNBJRWQDXGH-UHFFFAOYSA-N
MW249.36 g/mol
LogP1.51
Rot. Bonds5

About N-ethyl-2-(1-methylimidazol-2-yl)-1-(7-oxabicyclo[2.2.1]heptan-2-yl)ethanamine

N-ethyl-2-(1-methylimidazol-2-yl)-1-(7-oxabicyclo[2.2.1]heptan-2-yl)ethanamine (PubChem CID 79751721) has the molecular formula C14H23N3O and a molecular weight of 249.36 g/mol. Its IUPAC name is N-ethyl-2-(1-methylimidazol-2-yl)-1-(7-oxabicyclo[2.2.1]heptan-2-yl)ethanamine.

Molecular Properties

Compound NameN-ethyl-2-(1-methylimidazol-2-yl)-1-(7-oxabicyclo[2.2.1]heptan-2-yl)ethanamine
PubChem CID79751721
Molecular FormulaC14H23N3O
Molecular Weight249.36 g/mol
Exact Mass249.18
IUPAC NameN-ethyl-2-(1-methylimidazol-2-yl)-1-(7-oxabicyclo[2.2.1]heptan-2-yl)ethanamine
SMILESCCNC(Cc1nccn1C)C1CC2CCC1O2
InChIInChI=1S/C14H23N3O/c1-3-15-12(9-14-16-6-7-17(14)2)11-8-10-4-5-13(11)18-10/h6-7,10-13,15H,3-5,8-9H2,1-2H3
InChIKeySKPQNBJRWQDXGH-UHFFFAOYSA-N
XLogP1.51
TPSA39.08 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500249.36
LogP ≤ 51.51
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-(1-ethylimidazol-2-yl)-N-methyl-1-(7-oxabicyclo[2.2.1]heptan-2-yl)ethanamine
CID 79751513
N-ethyl-2-(2-methyltetrazol-5-yl)-1-(7-oxabicyclo[2.2.1]heptan-2-yl)ethanamine
CID 107049276
N-ethyl-1-(7-oxabicyclo[2.2.1]heptan-2-yl)-2-pyridin-3-ylethanamine
CID 113446951
2-(5-bromo-2-pyridinyl)-N-ethyl-1-(7-oxabicyclo[2.2.1]heptan-2-yl)ethanamine
CID 104802183
1-(2,2-dimethylcyclopropyl)-N-ethyl-2-(1-methylimidazol-2-yl)ethanamine
CID 107004749
1-(4-tert-butylcyclohexyl)-N-ethyl-2-(1-methylimidazol-2-yl)ethanamine
CID 79751363
N-ethyl-2-(1-methylimidazol-2-yl)-1-(4-methylmorpholin-2-yl)ethanamine
CID 79761166
2-(2-chloro-3-fluorophenyl)-N-ethyl-1-(7-oxabicyclo[2.2.1]heptan-2-yl)ethanamine
CID 115983778
1-cyclopropyl-N-methyl-2-(1-methylimidazol-2-yl)ethanamine
CID 63352794
1-(1,3-dioxolan-2-yl)-N-ethyl-3-(1-methylimidazol-2-yl)propan-2-amine
CID 103546972
N-ethyl-2-(1-methylimidazol-2-yl)-1-(4,5,6,7-tetrahydro-1-benzothiophen-4-yl)ethanamine
CID 105167288
[2-(1-methylimidazol-2-yl)-1-(4-propan-2-ylcyclohexyl)ethyl]hydrazine
CID 105232616

Frequently Asked Questions

What is the IUPAC name of N-ethyl-2-(1-methylimidazol-2-yl)-1-(7-oxabicyclo[2.2.1]heptan-2-yl)ethanamine?
The IUPAC name of N-ethyl-2-(1-methylimidazol-2-yl)-1-(7-oxabicyclo[2.2.1]heptan-2-yl)ethanamine (CID 79751721) is N-ethyl-2-(1-methylimidazol-2-yl)-1-(7-oxabicyclo[2.2.1]heptan-2-yl)ethanamine.
What is the SMILES notation for N-ethyl-2-(1-methylimidazol-2-yl)-1-(7-oxabicyclo[2.2.1]heptan-2-yl)ethanamine?
The canonical SMILES for N-ethyl-2-(1-methylimidazol-2-yl)-1-(7-oxabicyclo[2.2.1]heptan-2-yl)ethanamine is CCNC(Cc1nccn1C)C1CC2CCC1O2.
What is the InChIKey of N-ethyl-2-(1-methylimidazol-2-yl)-1-(7-oxabicyclo[2.2.1]heptan-2-yl)ethanamine?
The InChIKey is SKPQNBJRWQDXGH-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H23N3O/c1-3-15-12(9-14-16-6-7-17(14)2)11-8-10-4-5-13(11)18-10/h6-7,10-13,15H,3-5,8-9H2,1-2H3.
What are the key properties of N-ethyl-2-(1-methylimidazol-2-yl)-1-(7-oxabicyclo[2.2.1]heptan-2-yl)ethanamine?
N-ethyl-2-(1-methylimidazol-2-yl)-1-(7-oxabicyclo[2.2.1]heptan-2-yl)ethanamine has a molecular weight of 249.36 g/mol, XLogP of 1.51, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-2-(1-methylimidazol-2-yl)-1-(7-oxabicyclo[2.2.1]heptan-2-yl)ethanamine is sourced from PubChem (CID 79751721), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).