(1-ethylimidazol-2-yl)-(oxan-2-yl)methanamine

C11H19N3O — CID 115860223

IUPAC(1-ethylimidazol-2-yl)-(oxan-2-yl)methanamine
SMILESCCn1ccnc1C(N)C1CCCCO1
InChIInChI=1S/C11H19N3O/c1-2-14-7-6-13-11(14)10(12)9-5-3-4-8-15-9/h6-7,9-10H,2-5,8,12H2,1H3
InChIKeyRAQWVUUDRJFGKM-UHFFFAOYSA-N
MW209.29 g/mol
LogP1.47
Rot. Bonds3

About (1-ethylimidazol-2-yl)-(oxan-2-yl)methanamine

(1-ethylimidazol-2-yl)-(oxan-2-yl)methanamine (PubChem CID 115860223) has the molecular formula C11H19N3O and a molecular weight of 209.29 g/mol. Its IUPAC name is (1-ethylimidazol-2-yl)-(oxan-2-yl)methanamine.

Molecular Properties

Compound Name(1-ethylimidazol-2-yl)-(oxan-2-yl)methanamine
PubChem CID115860223
Molecular FormulaC11H19N3O
Molecular Weight209.29 g/mol
Exact Mass209.15
IUPAC Name(1-ethylimidazol-2-yl)-(oxan-2-yl)methanamine
SMILESCCn1ccnc1C(N)C1CCCCO1
InChIInChI=1S/C11H19N3O/c1-2-14-7-6-13-11(14)10(12)9-5-3-4-8-15-9/h6-7,9-10H,2-5,8,12H2,1H3
InChIKeyRAQWVUUDRJFGKM-UHFFFAOYSA-N
XLogP1.47
TPSA53.07 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500209.29
LogP ≤ 51.47
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

oxolan-2-yl-(1-propylimidazol-2-yl)methanamine
CID 65331088
1-(1-ethylimidazol-2-yl)-3-(oxan-2-yl)propan-1-amine
CID 115860150
N-[oxan-2-yl-(1-propylimidazol-2-yl)methyl]propan-1-amine
CID 115859031
N-methyl-1-(oxolan-2-yl)-1-(1-propylimidazol-2-yl)methanamine
CID 65328911
1-(oxan-2-yl)-2-(1-propylimidazol-2-yl)ethanol
CID 115821107
7-bicyclo[4.1.0]heptanyl-(1-ethylimidazol-2-yl)methanol
CID 115800045
2-cyclopentylsulfanyl-1-(1-ethylimidazol-2-yl)ethanamine
CID 65138714
1-(1-ethylimidazol-2-yl)ethanamine
CID 63970415
oxan-3-yl-(1-propylimidazol-2-yl)methanamine
CID 65332241
(1-ethylimidazol-2-yl)-(2,4,5-trimethyloxolan-3-yl)methanamine
CID 115860239
[(1-ethylimidazol-2-yl)-(2-methyloxolan-3-yl)methyl]hydrazine
CID 105308429
(3-ethyl-1,4-dithian-2-yl)-(1-ethylimidazol-2-yl)methanamine
CID 113299667

Frequently Asked Questions

What is the IUPAC name of (1-ethylimidazol-2-yl)-(oxan-2-yl)methanamine?
The IUPAC name of (1-ethylimidazol-2-yl)-(oxan-2-yl)methanamine (CID 115860223) is (1-ethylimidazol-2-yl)-(oxan-2-yl)methanamine.
What is the SMILES notation for (1-ethylimidazol-2-yl)-(oxan-2-yl)methanamine?
The canonical SMILES for (1-ethylimidazol-2-yl)-(oxan-2-yl)methanamine is CCn1ccnc1C(N)C1CCCCO1.
What is the InChIKey of (1-ethylimidazol-2-yl)-(oxan-2-yl)methanamine?
The InChIKey is RAQWVUUDRJFGKM-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H19N3O/c1-2-14-7-6-13-11(14)10(12)9-5-3-4-8-15-9/h6-7,9-10H,2-5,8,12H2,1H3.
What are the key properties of (1-ethylimidazol-2-yl)-(oxan-2-yl)methanamine?
(1-ethylimidazol-2-yl)-(oxan-2-yl)methanamine has a molecular weight of 209.29 g/mol, XLogP of 1.47, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (1-ethylimidazol-2-yl)-(oxan-2-yl)methanamine is sourced from PubChem (CID 115860223), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).