(1R)-1-(1-methylimidazol-2-yl)ethanamine

C6H11N3 — CID 42220137

IUPAC(1R)-1-(1-methylimidazol-2-yl)ethanamine
SMILESC[C@@H](N)c1nccn1C
InChIInChI=1S/C6H11N3/c1-5(7)6-8-3-4-9(6)2/h3-5H,7H2,1-2H3/t5-/m1/s1
InChIKeyADIMIJGUVBPQPB-RXMQYKEDSA-N
MW125.17 g/mol
LogP0.44
Rot. Bonds1

About (1R)-1-(1-methylimidazol-2-yl)ethanamine

(1R)-1-(1-methylimidazol-2-yl)ethanamine (PubChem CID 42220137) has the molecular formula C6H11N3 and a molecular weight of 125.17 g/mol. Its IUPAC name is (1R)-1-(1-methylimidazol-2-yl)ethanamine.

Molecular Properties

Compound Name(1R)-1-(1-methylimidazol-2-yl)ethanamine
PubChem CID42220137
Molecular FormulaC6H11N3
Molecular Weight125.17 g/mol
Exact Mass125.10
IUPAC Name(1R)-1-(1-methylimidazol-2-yl)ethanamine
SMILESC[C@@H](N)c1nccn1C
InChIInChI=1S/C6H11N3/c1-5(7)6-8-3-4-9(6)2/h3-5H,7H2,1-2H3/t5-/m1/s1
InChIKeyADIMIJGUVBPQPB-RXMQYKEDSA-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

(1S)-1-(1-methylimidazol-2-yl)ethanamine;dihydrochloride
CID 162341662
methane;1-(1-methylimidazol-2-yl)ethanol
CID 174578222
1-(1-ethylimidazol-2-yl)ethanamine
CID 63970415
bis(1-methylimidazol-2-yl)methylhydrazine
CID 105258117
(2R)-2-amino-2-(1-methylimidazol-2-yl)acetic acid
CID 26597297
(2R)-1-(1-methylimidazol-2-yl)propane-1,2-diol;hydrochloride
CID 173103248
3-ethyl-1-(1-methylimidazol-2-yl)pentan-1-amine
CID 82922287
1-methyl-2-pentan-3-ylimidazole
CID 89261277
(R)-(4-bromophenyl)-(1-methylimidazol-2-yl)methanamine
CID 42220181
4,4,4-trifluoro-1-(1-methylimidazol-2-yl)butan-1-amine
CID 79952736
fluoroform;2-(1-methoxyethyl)-1-methylimidazole
CID 174709320
(1-methylimidazol-2-yl)-(1H-1,2,4-triazol-5-yl)methanamine
CID 65362548

Frequently Asked Questions

What is the IUPAC name of (1R)-1-(1-methylimidazol-2-yl)ethanamine?
The IUPAC name of (1R)-1-(1-methylimidazol-2-yl)ethanamine (CID 42220137) is (1R)-1-(1-methylimidazol-2-yl)ethanamine.
What is the SMILES notation for (1R)-1-(1-methylimidazol-2-yl)ethanamine?
The canonical SMILES for (1R)-1-(1-methylimidazol-2-yl)ethanamine is C[C@@H](N)c1nccn1C.
What is the InChIKey of (1R)-1-(1-methylimidazol-2-yl)ethanamine?
The InChIKey is ADIMIJGUVBPQPB-RXMQYKEDSA-N. The full InChI is InChI=1S/C6H11N3/c1-5(7)6-8-3-4-9(6)2/h3-5H,7H2,1-2H3/t5-/m1/s1.
What are the key properties of (1R)-1-(1-methylimidazol-2-yl)ethanamine?
(1R)-1-(1-methylimidazol-2-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 (1R)-1-(1-methylimidazol-2-yl)ethanamine is sourced from PubChem (CID 42220137), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).