N-ethyl-1-methoxy-3-(2-propan-2-ylimidazol-1-yl)propan-2-amine

C12H23N3O — CID 107506086

IUPACN-ethyl-1-methoxy-3-(2-propan-2-ylimidazol-1-yl)propan-2-amine
SMILESCCNC(COC)Cn1ccnc1C(C)C
InChIInChI=1S/C12H23N3O/c1-5-13-11(9-16-4)8-15-7-6-14-12(15)10(2)3/h6-7,10-11,13H,5,8-9H2,1-4H3
InChIKeySHYFLCKGNCMNOF-UHFFFAOYSA-N
MW225.34 g/mol
LogP1.63
Rot. Bonds7

About N-ethyl-1-methoxy-3-(2-propan-2-ylimidazol-1-yl)propan-2-amine

N-ethyl-1-methoxy-3-(2-propan-2-ylimidazol-1-yl)propan-2-amine (PubChem CID 107506086) has the molecular formula C12H23N3O and a molecular weight of 225.34 g/mol. Its IUPAC name is N-ethyl-1-methoxy-3-(2-propan-2-ylimidazol-1-yl)propan-2-amine.

Molecular Properties

Compound NameN-ethyl-1-methoxy-3-(2-propan-2-ylimidazol-1-yl)propan-2-amine
PubChem CID107506086
Molecular FormulaC12H23N3O
Molecular Weight225.34 g/mol
Exact Mass225.18
IUPAC NameN-ethyl-1-methoxy-3-(2-propan-2-ylimidazol-1-yl)propan-2-amine
SMILESCCNC(COC)Cn1ccnc1C(C)C
InChIInChI=1S/C12H23N3O/c1-5-13-11(9-16-4)8-15-7-6-14-12(15)10(2)3/h6-7,10-11,13H,5,8-9H2,1-4H3
InChIKeySHYFLCKGNCMNOF-UHFFFAOYSA-N
XLogP1.63
TPSA39.08 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500225.34
LogP ≤ 51.63
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze N-ethyl-1-methoxy-3-(2-propan-2-ylimidazol-1-yl)propan-2-amine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N-ethyl-1-methoxy-3-(2-methylimidazol-1-yl)propan-2-amine
CID 107506034
1-cyclopropyl-N-ethyl-2-(2-propan-2-ylimidazol-1-yl)ethanamine
CID 63912643
N-ethyl-2-methoxy-1-(1-propylimidazol-2-yl)ethanamine
CID 63970852
methyl 2-methyl-3-(2-propan-2-ylimidazol-1-yl)propanoate
CID 43538211
1-(2-methoxyethoxymethyl)-2-propan-2-ylimidazole
CID 90402630
(2S)-1-(2-propan-2-ylimidazol-1-yl)propan-2-amine
CID 28794327
N-ethyl-1-(1-ethylimidazol-2-yl)-4-methoxybutan-2-amine
CID 79751583
N-ethyl-1-(1-ethylimidazol-2-yl)-2-(2-methoxyethoxy)ethanamine
CID 114032819
1-(3-ethoxypropyl)-2-propan-2-ylimidazole
CID 65177942
N-[1-(1-ethylimidazol-2-yl)-2-methoxyethyl]propan-1-amine
CID 63967707
2-[(1-ethylimidazol-2-yl)amino]-3-methoxypropan-1-ol
CID 106186173
N-ethyl-1-(1-ethylimidazol-2-yl)-2-methylpropan-1-amine
CID 63967917

Frequently Asked Questions

What is the IUPAC name of N-ethyl-1-methoxy-3-(2-propan-2-ylimidazol-1-yl)propan-2-amine?
The IUPAC name of N-ethyl-1-methoxy-3-(2-propan-2-ylimidazol-1-yl)propan-2-amine (CID 107506086) is N-ethyl-1-methoxy-3-(2-propan-2-ylimidazol-1-yl)propan-2-amine.
What is the SMILES notation for N-ethyl-1-methoxy-3-(2-propan-2-ylimidazol-1-yl)propan-2-amine?
The canonical SMILES for N-ethyl-1-methoxy-3-(2-propan-2-ylimidazol-1-yl)propan-2-amine is CCNC(COC)Cn1ccnc1C(C)C.
What is the InChIKey of N-ethyl-1-methoxy-3-(2-propan-2-ylimidazol-1-yl)propan-2-amine?
The InChIKey is SHYFLCKGNCMNOF-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H23N3O/c1-5-13-11(9-16-4)8-15-7-6-14-12(15)10(2)3/h6-7,10-11,13H,5,8-9H2,1-4H3.
What are the key properties of N-ethyl-1-methoxy-3-(2-propan-2-ylimidazol-1-yl)propan-2-amine?
N-ethyl-1-methoxy-3-(2-propan-2-ylimidazol-1-yl)propan-2-amine has a molecular weight of 225.34 g/mol, XLogP of 1.63, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-1-methoxy-3-(2-propan-2-ylimidazol-1-yl)propan-2-amine is sourced from PubChem (CID 107506086), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).