(1S)-1-[3-[2-[2-methoxyethyl(methyl)amino]ethyl]imidazol-4-yl]ethanamine

C11H22N4O — CID 104942948

IUPAC(1S)-1-[3-[2-[2-methoxyethyl(methyl)amino]ethyl]imidazol-4-yl]ethanamine
SMILESCOCCN(C)CCn1cncc1[C@H](C)N
InChIInChI=1S/C11H22N4O/c1-10(12)11-8-13-9-15(11)5-4-14(2)6-7-16-3/h8-10H,4-7,12H2,1-3H3/t10-/m0/s1
InChIKeyWXIYDPJOMOZCKP-JTQLQIEISA-N
MW226.32 g/mol
LogP0.48
Rot. Bonds7

About (1S)-1-[3-[2-[2-methoxyethyl(methyl)amino]ethyl]imidazol-4-yl]ethanamine

(1S)-1-[3-[2-[2-methoxyethyl(methyl)amino]ethyl]imidazol-4-yl]ethanamine (PubChem CID 104942948) has the molecular formula C11H22N4O and a molecular weight of 226.32 g/mol. Its IUPAC name is (1S)-1-[3-[2-[2-methoxyethyl(methyl)amino]ethyl]imidazol-4-yl]ethanamine.

Molecular Properties

Compound Name(1S)-1-[3-[2-[2-methoxyethyl(methyl)amino]ethyl]imidazol-4-yl]ethanamine
PubChem CID104942948
Molecular FormulaC11H22N4O
Molecular Weight226.32 g/mol
Exact Mass226.18
IUPAC Name(1S)-1-[3-[2-[2-methoxyethyl(methyl)amino]ethyl]imidazol-4-yl]ethanamine
SMILESCOCCN(C)CCn1cncc1[C@H](C)N
InChIInChI=1S/C11H22N4O/c1-10(12)11-8-13-9-15(11)5-4-14(2)6-7-16-3/h8-10H,4-7,12H2,1-3H3/t10-/m0/s1
InChIKeyWXIYDPJOMOZCKP-JTQLQIEISA-N
XLogP0.48
TPSA56.31 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500226.32
LogP ≤ 50.48
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of (1S)-1-[3-[2-[2-methoxyethyl(methyl)amino]ethyl]imidazol-4-yl]ethanamine?
The IUPAC name of (1S)-1-[3-[2-[2-methoxyethyl(methyl)amino]ethyl]imidazol-4-yl]ethanamine (CID 104942948) is (1S)-1-[3-[2-[2-methoxyethyl(methyl)amino]ethyl]imidazol-4-yl]ethanamine.
What is the SMILES notation for (1S)-1-[3-[2-[2-methoxyethyl(methyl)amino]ethyl]imidazol-4-yl]ethanamine?
The canonical SMILES for (1S)-1-[3-[2-[2-methoxyethyl(methyl)amino]ethyl]imidazol-4-yl]ethanamine is COCCN(C)CCn1cncc1[C@H](C)N.
What is the InChIKey of (1S)-1-[3-[2-[2-methoxyethyl(methyl)amino]ethyl]imidazol-4-yl]ethanamine?
The InChIKey is WXIYDPJOMOZCKP-JTQLQIEISA-N. The full InChI is InChI=1S/C11H22N4O/c1-10(12)11-8-13-9-15(11)5-4-14(2)6-7-16-3/h8-10H,4-7,12H2,1-3H3/t10-/m0/s1.
What are the key properties of (1S)-1-[3-[2-[2-methoxyethyl(methyl)amino]ethyl]imidazol-4-yl]ethanamine?
(1S)-1-[3-[2-[2-methoxyethyl(methyl)amino]ethyl]imidazol-4-yl]ethanamine has a molecular weight of 226.32 g/mol, XLogP of 0.48, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (1S)-1-[3-[2-[2-methoxyethyl(methyl)amino]ethyl]imidazol-4-yl]ethanamine is sourced from PubChem (CID 104942948), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).