(1S)-1-(3-methylimidazol-4-yl)ethanamine

C6H11N3 — CID 82898137

IUPAC(1S)-1-(3-methylimidazol-4-yl)ethanamine
SMILESC[C@H](N)c1cncn1C
InChIInChI=1S/C6H11N3/c1-5(7)6-3-8-4-9(6)2/h3-5H,7H2,1-2H3/t5-/m0/s1
InChIKeyARKPMOZBRKFUHB-YFKPBYRVSA-N
MW125.17 g/mol
LogP0.44
Rot. Bonds1

About (1S)-1-(3-methylimidazol-4-yl)ethanamine

(1S)-1-(3-methylimidazol-4-yl)ethanamine (PubChem CID 82898137) has the molecular formula C6H11N3 and a molecular weight of 125.17 g/mol. Its IUPAC name is (1S)-1-(3-methylimidazol-4-yl)ethanamine.

Molecular Properties

Compound Name(1S)-1-(3-methylimidazol-4-yl)ethanamine
PubChem CID82898137
Molecular FormulaC6H11N3
Molecular Weight125.17 g/mol
Exact Mass125.10
IUPAC Name(1S)-1-(3-methylimidazol-4-yl)ethanamine
SMILESC[C@H](N)c1cncn1C
InChIInChI=1S/C6H11N3/c1-5(7)6-3-8-4-9(6)2/h3-5H,7H2,1-2H3/t5-/m0/s1
InChIKeyARKPMOZBRKFUHB-YFKPBYRVSA-N
XLogP0.44
TPSA43.84 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500125.17
LogP ≤ 50.44
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N'-methyl-1-(3-methylimidazol-4-yl)methanediamine
CID 170132985
(1S,2S)-2-amino-3-methyl-1-(3-methylimidazol-4-yl)butan-1-ol
CID 131093413
(1S)-1-[3-(2-aminoethyl)imidazol-4-yl]ethanamine
CID 104942319
2,2,2-trifluoro-1-(3-methylimidazol-4-yl)ethanamine
CID 66116728
1-(3-butylimidazol-4-yl)ethanamine
CID 114702792
ethane;N-methyl-1-(3-methylimidazol-4-yl)ethanamine
CID 143252273
2-amino-1-(3-methylimidazol-4-yl)butan-1-ol
CID 66116586
2-cyclohexyl-1-(3-methylimidazol-4-yl)ethanamine
CID 82895962
(3-methylimidazol-4-yl)-pyrazin-2-ylmethanamine
CID 82895949
(1S)-1-(3-but-3-ynylimidazol-4-yl)ethanamine
CID 104943123
N,N-dimethyl-1-(3-methylimidazol-4-yl)ethane-1,2-diamine
CID 66118363
(3-methylimidazol-4-yl)-(4-methyl-3-pyridinyl)methanamine
CID 82895955

Frequently Asked Questions

What is the IUPAC name of (1S)-1-(3-methylimidazol-4-yl)ethanamine?
The IUPAC name of (1S)-1-(3-methylimidazol-4-yl)ethanamine (CID 82898137) is (1S)-1-(3-methylimidazol-4-yl)ethanamine.
What is the SMILES notation for (1S)-1-(3-methylimidazol-4-yl)ethanamine?
The canonical SMILES for (1S)-1-(3-methylimidazol-4-yl)ethanamine is C[C@H](N)c1cncn1C.
What is the InChIKey of (1S)-1-(3-methylimidazol-4-yl)ethanamine?
The InChIKey is ARKPMOZBRKFUHB-YFKPBYRVSA-N. The full InChI is InChI=1S/C6H11N3/c1-5(7)6-3-8-4-9(6)2/h3-5H,7H2,1-2H3/t5-/m0/s1.
What are the key properties of (1S)-1-(3-methylimidazol-4-yl)ethanamine?
(1S)-1-(3-methylimidazol-4-yl)ethanamine has a molecular weight of 125.17 g/mol, XLogP of 0.44, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (1S)-1-(3-methylimidazol-4-yl)ethanamine is sourced from PubChem (CID 82898137), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).