(1S)-1-[3-(2-ethoxy-2-methylpropyl)imidazol-4-yl]ethanamine

C11H21N3O — CID 104985229

IUPAC(1S)-1-[3-(2-ethoxy-2-methylpropyl)imidazol-4-yl]ethanamine
SMILESCCOC(C)(C)Cn1cncc1[C@H](C)N
InChIInChI=1S/C11H21N3O/c1-5-15-11(3,4)7-14-8-13-6-10(14)9(2)12/h6,8-9H,5,7,12H2,1-4H3/t9-/m0/s1
InChIKeyWEYCAJGBKRNTRP-VIFPVBQESA-N
MW211.31 g/mol
LogP1.72
Rot. Bonds5

About (1S)-1-[3-(2-ethoxy-2-methylpropyl)imidazol-4-yl]ethanamine

(1S)-1-[3-(2-ethoxy-2-methylpropyl)imidazol-4-yl]ethanamine (PubChem CID 104985229) has the molecular formula C11H21N3O and a molecular weight of 211.31 g/mol. Its IUPAC name is (1S)-1-[3-(2-ethoxy-2-methylpropyl)imidazol-4-yl]ethanamine.

Molecular Properties

Compound Name(1S)-1-[3-(2-ethoxy-2-methylpropyl)imidazol-4-yl]ethanamine
PubChem CID104985229
Molecular FormulaC11H21N3O
Molecular Weight211.31 g/mol
Exact Mass211.17
IUPAC Name(1S)-1-[3-(2-ethoxy-2-methylpropyl)imidazol-4-yl]ethanamine
SMILESCCOC(C)(C)Cn1cncc1[C@H](C)N
InChIInChI=1S/C11H21N3O/c1-5-15-11(3,4)7-14-8-13-6-10(14)9(2)12/h6,8-9H,5,7,12H2,1-4H3/t9-/m0/s1
InChIKeyWEYCAJGBKRNTRP-VIFPVBQESA-N
XLogP1.72
TPSA53.07 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500211.31
LogP ≤ 51.72
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze (1S)-1-[3-(2-ethoxy-2-methylpropyl)imidazol-4-yl]ethanamine 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

1-[3-(2,2-dimethylpropyl)imidazol-4-yl]ethanamine
CID 114704468
(1R)-1-[3-(2,2,2-trifluoroethyl)imidazol-4-yl]ethanamine
CID 104941818
1-[3-(2-methyl-2-methylsulfanylpropyl)imidazol-4-yl]ethanamine
CID 114707509
3-[5-[(1S)-1-aminoethyl]imidazol-1-yl]-2,2-dimethylpropanamide
CID 106278142
1-(3-butylimidazol-4-yl)ethanamine
CID 114702792
(1S)-1-[3-(2-aminoethyl)imidazol-4-yl]ethanamine
CID 104942319
(1S)-1-[3-(2-methoxypropyl)imidazol-4-yl]ethanamine
CID 102702204
(1R)-1-[3-(2,3-dimethylbutyl)imidazol-4-yl]ethanamine
CID 104943294
(1R)-1-[3-(2-methylbutan-2-yl)imidazol-4-yl]ethanamine
CID 104941998
(1R)-1-[3-(2-butoxyethyl)imidazol-4-yl]ethanamine
CID 104942754
(1S)-1-(3-but-3-ynylimidazol-4-yl)ethanamine
CID 104943123
(1S)-1-(3-hex-5-ynylimidazol-4-yl)ethanamine
CID 106212066

Frequently Asked Questions

What is the IUPAC name of (1S)-1-[3-(2-ethoxy-2-methylpropyl)imidazol-4-yl]ethanamine?
The IUPAC name of (1S)-1-[3-(2-ethoxy-2-methylpropyl)imidazol-4-yl]ethanamine (CID 104985229) is (1S)-1-[3-(2-ethoxy-2-methylpropyl)imidazol-4-yl]ethanamine.
What is the SMILES notation for (1S)-1-[3-(2-ethoxy-2-methylpropyl)imidazol-4-yl]ethanamine?
The canonical SMILES for (1S)-1-[3-(2-ethoxy-2-methylpropyl)imidazol-4-yl]ethanamine is CCOC(C)(C)Cn1cncc1[C@H](C)N.
What is the InChIKey of (1S)-1-[3-(2-ethoxy-2-methylpropyl)imidazol-4-yl]ethanamine?
The InChIKey is WEYCAJGBKRNTRP-VIFPVBQESA-N. The full InChI is InChI=1S/C11H21N3O/c1-5-15-11(3,4)7-14-8-13-6-10(14)9(2)12/h6,8-9H,5,7,12H2,1-4H3/t9-/m0/s1.
What are the key properties of (1S)-1-[3-(2-ethoxy-2-methylpropyl)imidazol-4-yl]ethanamine?
(1S)-1-[3-(2-ethoxy-2-methylpropyl)imidazol-4-yl]ethanamine has a molecular weight of 211.31 g/mol, XLogP of 1.72, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (1S)-1-[3-(2-ethoxy-2-methylpropyl)imidazol-4-yl]ethanamine is sourced from PubChem (CID 104985229), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).