(1-ethylimidazol-2-yl)-(2,4,5-trimethyloxolan-3-yl)methanamine

C13H23N3O — CID 115860239

IUPAC(1-ethylimidazol-2-yl)-(2,4,5-trimethyloxolan-3-yl)methanamine
SMILESCCn1ccnc1C(N)C1C(C)OC(C)C1C
InChIInChI=1S/C13H23N3O/c1-5-16-7-6-15-13(16)12(14)11-8(2)9(3)17-10(11)4/h6-12H,5,14H2,1-4H3
InChIKeyPSMOYWSFOFBZHC-UHFFFAOYSA-N
MW237.35 g/mol
LogP1.96
Rot. Bonds3

About (1-ethylimidazol-2-yl)-(2,4,5-trimethyloxolan-3-yl)methanamine

(1-ethylimidazol-2-yl)-(2,4,5-trimethyloxolan-3-yl)methanamine (PubChem CID 115860239) has the molecular formula C13H23N3O and a molecular weight of 237.35 g/mol. Its IUPAC name is (1-ethylimidazol-2-yl)-(2,4,5-trimethyloxolan-3-yl)methanamine.

Molecular Properties

Compound Name(1-ethylimidazol-2-yl)-(2,4,5-trimethyloxolan-3-yl)methanamine
PubChem CID115860239
Molecular FormulaC13H23N3O
Molecular Weight237.35 g/mol
Exact Mass237.18
IUPAC Name(1-ethylimidazol-2-yl)-(2,4,5-trimethyloxolan-3-yl)methanamine
SMILESCCn1ccnc1C(N)C1C(C)OC(C)C1C
InChIInChI=1S/C13H23N3O/c1-5-16-7-6-15-13(16)12(14)11-8(2)9(3)17-10(11)4/h6-12H,5,14H2,1-4H3
InChIKeyPSMOYWSFOFBZHC-UHFFFAOYSA-N
XLogP1.96
TPSA53.07 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500237.35
LogP ≤ 51.96
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

1-(1-ethylimidazol-2-yl)ethanamine
CID 63970415
(1-ethylimidazol-2-yl)-(oxan-2-yl)methanamine
CID 115860223
(3-ethyl-1,4-dithian-2-yl)-(1-ethylimidazol-2-yl)methanamine
CID 113299667
(2-methylcyclopropyl)-(1-propylimidazol-2-yl)methanamine
CID 65420833
(1-ethylimidazol-2-yl)-(2,3,4,5,6-pentafluorophenyl)methanamine
CID 61315339
1-(1-ethylimidazol-2-yl)-N',N'-dimethylethane-1,2-diamine
CID 79092901
[(1-ethylimidazol-2-yl)-(2-methyloxolan-3-yl)methyl]hydrazine
CID 105308429
1-ethyl-2-[(1R)-1-iodoethyl]imidazole
CID 97177373
2-(1-bromoethyl)-1-ethylimidazole
CID 71635251
7-bicyclo[4.1.0]heptanyl-(1-ethylimidazol-2-yl)methanol
CID 115800045
2,3-dihydro-1H-inden-1-yl-(1-ethylimidazol-2-yl)methanamine
CID 65403570
N-ethyl-3-(1-methylimidazol-2-yl)-1-(2,4,5-trimethyloxolan-3-yl)propan-1-amine
CID 105050089

Frequently Asked Questions

What is the IUPAC name of (1-ethylimidazol-2-yl)-(2,4,5-trimethyloxolan-3-yl)methanamine?
The IUPAC name of (1-ethylimidazol-2-yl)-(2,4,5-trimethyloxolan-3-yl)methanamine (CID 115860239) is (1-ethylimidazol-2-yl)-(2,4,5-trimethyloxolan-3-yl)methanamine.
What is the SMILES notation for (1-ethylimidazol-2-yl)-(2,4,5-trimethyloxolan-3-yl)methanamine?
The canonical SMILES for (1-ethylimidazol-2-yl)-(2,4,5-trimethyloxolan-3-yl)methanamine is CCn1ccnc1C(N)C1C(C)OC(C)C1C.
What is the InChIKey of (1-ethylimidazol-2-yl)-(2,4,5-trimethyloxolan-3-yl)methanamine?
The InChIKey is PSMOYWSFOFBZHC-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H23N3O/c1-5-16-7-6-15-13(16)12(14)11-8(2)9(3)17-10(11)4/h6-12H,5,14H2,1-4H3.
What are the key properties of (1-ethylimidazol-2-yl)-(2,4,5-trimethyloxolan-3-yl)methanamine?
(1-ethylimidazol-2-yl)-(2,4,5-trimethyloxolan-3-yl)methanamine has a molecular weight of 237.35 g/mol, XLogP of 1.96, 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)-(2,4,5-trimethyloxolan-3-yl)methanamine is sourced from PubChem (CID 115860239), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).