2-(1-ethylimidazol-2-yl)-1-(oxan-4-yl)ethanamine

C12H21N3O — CID 79761126

IUPAC2-(1-ethylimidazol-2-yl)-1-(oxan-4-yl)ethanamine
SMILESCCn1ccnc1CC(N)C1CCOCC1
InChIInChI=1S/C12H21N3O/c1-2-15-6-5-14-12(15)9-11(13)10-3-7-16-8-4-10/h5-6,10-11H,2-4,7-9,13H2,1H3
InChIKeyINNFIBVTUILBLN-UHFFFAOYSA-N
MW223.32 g/mol
LogP1.20
Rot. Bonds4

About 2-(1-ethylimidazol-2-yl)-1-(oxan-4-yl)ethanamine

2-(1-ethylimidazol-2-yl)-1-(oxan-4-yl)ethanamine (PubChem CID 79761126) has the molecular formula C12H21N3O and a molecular weight of 223.32 g/mol. Its IUPAC name is 2-(1-ethylimidazol-2-yl)-1-(oxan-4-yl)ethanamine.

Molecular Properties

Compound Name2-(1-ethylimidazol-2-yl)-1-(oxan-4-yl)ethanamine
PubChem CID79761126
Molecular FormulaC12H21N3O
Molecular Weight223.32 g/mol
Exact Mass223.17
IUPAC Name2-(1-ethylimidazol-2-yl)-1-(oxan-4-yl)ethanamine
SMILESCCn1ccnc1CC(N)C1CCOCC1
InChIInChI=1S/C12H21N3O/c1-2-15-6-5-14-12(15)9-11(13)10-3-7-16-8-4-10/h5-6,10-11H,2-4,7-9,13H2,1H3
InChIKeyINNFIBVTUILBLN-UHFFFAOYSA-N
XLogP1.20
TPSA53.07 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500223.32
LogP ≤ 51.20
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-(1-ethylimidazol-2-yl)-1-(4-propylcyclohexyl)ethanamine
CID 79761385
2-(1-ethylimidazol-2-yl)-1-(3-methyloxolan-2-yl)ethanamine
CID 105009551
2-(1-ethylimidazol-2-yl)-1-(5-methyloxolan-3-yl)ethanamine
CID 105009554
2-(1-ethylimidazol-2-yl)-1-(1,2,3,4-tetrahydronaphthalen-2-yl)ethanamine
CID 79760621
1-(2,2-dimethylcyclopropyl)-2-(1-ethylimidazol-2-yl)ethanamine
CID 107004731
1-(4-propylcyclohexyl)-2-(1-propylimidazol-2-yl)ethanamine
CID 79761510
(2R)-1-(1-ethylimidazol-2-yl)propan-2-amine
CID 92763393
4-cyclopentyl-1-(1-ethylimidazol-2-yl)butan-2-amine
CID 105009415
[1-cycloheptyl-2-(1-ethylimidazol-2-yl)ethyl]hydrazine
CID 105232129
4-[(1-ethylimidazol-2-yl)methyl]oxan-4-amine
CID 79743997
2-(1-ethylimidazol-2-yl)-1-(1,2,3,4-tetrahydronaphthalen-1-yl)ethanamine
CID 79751984
2-(1-ethylimidazol-2-yl)-1-(4,5,6,7-tetrahydro-1-benzothiophen-4-yl)ethanamine
CID 105165804

Frequently Asked Questions

What is the IUPAC name of 2-(1-ethylimidazol-2-yl)-1-(oxan-4-yl)ethanamine?
The IUPAC name of 2-(1-ethylimidazol-2-yl)-1-(oxan-4-yl)ethanamine (CID 79761126) is 2-(1-ethylimidazol-2-yl)-1-(oxan-4-yl)ethanamine.
What is the SMILES notation for 2-(1-ethylimidazol-2-yl)-1-(oxan-4-yl)ethanamine?
The canonical SMILES for 2-(1-ethylimidazol-2-yl)-1-(oxan-4-yl)ethanamine is CCn1ccnc1CC(N)C1CCOCC1.
What is the InChIKey of 2-(1-ethylimidazol-2-yl)-1-(oxan-4-yl)ethanamine?
The InChIKey is INNFIBVTUILBLN-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H21N3O/c1-2-15-6-5-14-12(15)9-11(13)10-3-7-16-8-4-10/h5-6,10-11H,2-4,7-9,13H2,1H3.
What are the key properties of 2-(1-ethylimidazol-2-yl)-1-(oxan-4-yl)ethanamine?
2-(1-ethylimidazol-2-yl)-1-(oxan-4-yl)ethanamine has a molecular weight of 223.32 g/mol, XLogP of 1.20, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1-ethylimidazol-2-yl)-1-(oxan-4-yl)ethanamine is sourced from PubChem (CID 79761126), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).