1-[3-(1-methoxypropan-2-yl)imidazol-4-yl]ethanamine

C9H17N3O — CID 114702976

IUPAC1-[3-(1-methoxypropan-2-yl)imidazol-4-yl]ethanamine
SMILESCOCC(C)n1cncc1C(C)N
InChIInChI=1S/C9H17N3O/c1-7(5-13-3)12-6-11-4-9(12)8(2)10/h4,6-8H,5,10H2,1-3H3
InChIKeyYOTRKCFRHCSIQL-UHFFFAOYSA-N
MW183.25 g/mol
LogP1.11
Rot. Bonds4

About 1-[3-(1-methoxypropan-2-yl)imidazol-4-yl]ethanamine

1-[3-(1-methoxypropan-2-yl)imidazol-4-yl]ethanamine (PubChem CID 114702976) has the molecular formula C9H17N3O and a molecular weight of 183.25 g/mol. Its IUPAC name is 1-[3-(1-methoxypropan-2-yl)imidazol-4-yl]ethanamine.

Molecular Properties

Compound Name1-[3-(1-methoxypropan-2-yl)imidazol-4-yl]ethanamine
PubChem CID114702976
Molecular FormulaC9H17N3O
Molecular Weight183.25 g/mol
Exact Mass183.14
IUPAC Name1-[3-(1-methoxypropan-2-yl)imidazol-4-yl]ethanamine
SMILESCOCC(C)n1cncc1C(C)N
InChIInChI=1S/C9H17N3O/c1-7(5-13-3)12-6-11-4-9(12)8(2)10/h4,6-8H,5,10H2,1-3H3
InChIKeyYOTRKCFRHCSIQL-UHFFFAOYSA-N
XLogP1.11
TPSA53.07 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500183.25
LogP ≤ 51.11
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

1-[3-(4-methoxybutan-2-yl)imidazol-4-yl]ethanamine
CID 114706503
(1S)-1-(3-hexan-2-ylimidazol-4-yl)ethanamine
CID 104942866
1-[3-(1-pyrazol-1-ylpropan-2-yl)imidazol-4-yl]ethanamine
CID 114705428
(1S)-1-[3-(1-thiophen-2-ylpropan-2-yl)imidazol-4-yl]ethanamine
CID 104943181
1-(3-but-3-en-2-ylimidazol-4-yl)ethanamine
CID 114707390
(1S)-1-[3-[2-[2-methoxyethyl(methyl)amino]ethyl]imidazol-4-yl]ethanamine
CID 104942948
1-(3-octan-4-ylimidazol-4-yl)ethanamine
CID 106022203
(1S)-1-[3-(2-methoxypropyl)imidazol-4-yl]ethanamine
CID 102702204
(1R)-1-[3-(1-ethoxypropan-2-yl)imidazol-4-yl]-2-phenylethanamine
CID 104942509
(1S)-1-(3-methylimidazol-4-yl)ethanamine
CID 82898137
1-(1-methoxypropan-2-yl)-5-[(2S)-pyrrolidin-2-yl]imidazole
CID 104941707
1-[3-(2-methoxyethyl)imidazol-4-yl]-2-methylpropan-1-amine
CID 102969486

Frequently Asked Questions

What is the IUPAC name of 1-[3-(1-methoxypropan-2-yl)imidazol-4-yl]ethanamine?
The IUPAC name of 1-[3-(1-methoxypropan-2-yl)imidazol-4-yl]ethanamine (CID 114702976) is 1-[3-(1-methoxypropan-2-yl)imidazol-4-yl]ethanamine.
What is the SMILES notation for 1-[3-(1-methoxypropan-2-yl)imidazol-4-yl]ethanamine?
The canonical SMILES for 1-[3-(1-methoxypropan-2-yl)imidazol-4-yl]ethanamine is COCC(C)n1cncc1C(C)N.
What is the InChIKey of 1-[3-(1-methoxypropan-2-yl)imidazol-4-yl]ethanamine?
The InChIKey is YOTRKCFRHCSIQL-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H17N3O/c1-7(5-13-3)12-6-11-4-9(12)8(2)10/h4,6-8H,5,10H2,1-3H3.
What are the key properties of 1-[3-(1-methoxypropan-2-yl)imidazol-4-yl]ethanamine?
1-[3-(1-methoxypropan-2-yl)imidazol-4-yl]ethanamine has a molecular weight of 183.25 g/mol, XLogP of 1.11, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[3-(1-methoxypropan-2-yl)imidazol-4-yl]ethanamine is sourced from PubChem (CID 114702976), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).