N-ethyl-2-(3-ethylimidazol-4-yl)oxan-4-amine

C12H21N3O — CID 66132492

IUPACN-ethyl-2-(3-ethylimidazol-4-yl)oxan-4-amine
SMILESCCNC1CCOC(c2cncn2CC)C1
InChIInChI=1S/C12H21N3O/c1-3-14-10-5-6-16-12(7-10)11-8-13-9-15(11)4-2/h8-10,12,14H,3-7H2,1-2H3
InChIKeyVCSRZQJYLSXESY-UHFFFAOYSA-N
MW223.32 g/mol
LogP1.73
Rot. Bonds4

About N-ethyl-2-(3-ethylimidazol-4-yl)oxan-4-amine

N-ethyl-2-(3-ethylimidazol-4-yl)oxan-4-amine (PubChem CID 66132492) has the molecular formula C12H21N3O and a molecular weight of 223.32 g/mol. Its IUPAC name is N-ethyl-2-(3-ethylimidazol-4-yl)oxan-4-amine.

Molecular Properties

Compound NameN-ethyl-2-(3-ethylimidazol-4-yl)oxan-4-amine
PubChem CID66132492
Molecular FormulaC12H21N3O
Molecular Weight223.32 g/mol
Exact Mass223.17
IUPAC NameN-ethyl-2-(3-ethylimidazol-4-yl)oxan-4-amine
SMILESCCNC1CCOC(c2cncn2CC)C1
InChIInChI=1S/C12H21N3O/c1-3-14-10-5-6-16-12(7-10)11-8-13-9-15(11)4-2/h8-10,12,14H,3-7H2,1-2H3
InChIKeyVCSRZQJYLSXESY-UHFFFAOYSA-N
XLogP1.73
TPSA39.08 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 ≤ 51.73
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-(3-propylimidazol-4-yl)oxan-4-ol
CID 66129854
2-(2-ethylpyrazol-3-yl)-N-propyloxan-4-amine
CID 114557849
N-[(3-ethyl-5-methoxy-1-methylpyrazol-4-yl)methyl]-2-(3-methylimidazol-4-yl)oxan-4-amine
CID 167753178
2-(4-cyclopropylphenyl)-N-ethyloxan-4-amine
CID 79978003
[5-(3-ethylimidazol-4-yl)oxolan-2-yl]methanamine
CID 130583644
3,5-diethyl-1-methyl-N-[2-(3-methylimidazol-4-yl)oxan-4-yl]pyrazole-4-sulfonamide
CID 167956330
5-(oxiran-2-yl)-1-propylimidazole
CID 66130060
6-methyl-2-[[[2-(3-methylimidazol-4-yl)oxan-4-yl]amino]methyl]pyridin-3-ol
CID 128998219
(2S,4S)-N-[(1-methylbenzimidazol-2-yl)methyl]-2-(3-methylimidazol-4-yl)oxan-4-amine
CID 129475983
N,N-dimethyl-3-[[[(2S,4R)-2-(3-methylimidazol-4-yl)oxan-4-yl]amino]methyl]pyridin-4-amine
CID 129474127
N-ethyl-2-(2-methylpyrimidin-4-yl)oxan-4-amine
CID 115529255
N-[(2S,4R)-2-(3-methylimidazol-4-yl)oxan-4-yl]-2-propyl-1,3-thiazole-5-carboxamide
CID 129328904

Frequently Asked Questions

What is the IUPAC name of N-ethyl-2-(3-ethylimidazol-4-yl)oxan-4-amine?
The IUPAC name of N-ethyl-2-(3-ethylimidazol-4-yl)oxan-4-amine (CID 66132492) is N-ethyl-2-(3-ethylimidazol-4-yl)oxan-4-amine.
What is the SMILES notation for N-ethyl-2-(3-ethylimidazol-4-yl)oxan-4-amine?
The canonical SMILES for N-ethyl-2-(3-ethylimidazol-4-yl)oxan-4-amine is CCNC1CCOC(c2cncn2CC)C1.
What is the InChIKey of N-ethyl-2-(3-ethylimidazol-4-yl)oxan-4-amine?
The InChIKey is VCSRZQJYLSXESY-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H21N3O/c1-3-14-10-5-6-16-12(7-10)11-8-13-9-15(11)4-2/h8-10,12,14H,3-7H2,1-2H3.
What are the key properties of N-ethyl-2-(3-ethylimidazol-4-yl)oxan-4-amine?
N-ethyl-2-(3-ethylimidazol-4-yl)oxan-4-amine has a molecular weight of 223.32 g/mol, XLogP of 1.73, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-2-(3-ethylimidazol-4-yl)oxan-4-amine is sourced from PubChem (CID 66132492), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).