(1S)-1-(1-methylimidazol-2-yl)ethanamine;dihydrochloride

C6H13Cl2N3 — CID 162341662

IUPAC(1S)-1-(1-methylimidazol-2-yl)ethanamine;dihydrochloride
SMILESC[C@H](N)c1nccn1C.Cl.Cl
InChIInChI=1S/C6H11N3.2ClH/c1-5(7)6-8-3-4-9(6)2;;/h3-5H,7H2,1-2H3;2*1H/t5-;;/m0../s1
InChIKeyQDPMQWLLLDXFFM-XRIGFGBMSA-N
MW198.10 g/mol
LogP1.28
Rot. Bonds1

About (1S)-1-(1-methylimidazol-2-yl)ethanamine;dihydrochloride

(1S)-1-(1-methylimidazol-2-yl)ethanamine;dihydrochloride (PubChem CID 162341662) has the molecular formula C6H13Cl2N3 and a molecular weight of 198.10 g/mol. Its IUPAC name is (1S)-1-(1-methylimidazol-2-yl)ethanamine;dihydrochloride.

Molecular Properties

Compound Name(1S)-1-(1-methylimidazol-2-yl)ethanamine;dihydrochloride
PubChem CID162341662
Molecular FormulaC6H13Cl2N3
Molecular Weight198.10 g/mol
Exact Mass197.05
IUPAC Name(1S)-1-(1-methylimidazol-2-yl)ethanamine;dihydrochloride
SMILESC[C@H](N)c1nccn1C.Cl.Cl
InChIInChI=1S/C6H11N3.2ClH/c1-5(7)6-8-3-4-9(6)2;;/h3-5H,7H2,1-2H3;2*1H/t5-;;/m0../s1
InChIKeyQDPMQWLLLDXFFM-XRIGFGBMSA-N
XLogP1.28
TPSA43.84 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500198.10
LogP ≤ 51.28
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

(1R)-1-(1-methylimidazol-2-yl)ethanamine
CID 42220137
(2R)-1-(1-methylimidazol-2-yl)propane-1,2-diol;hydrochloride
CID 173103248
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
ethyl 2-amino-2-(1-methylimidazol-2-yl)acetate;hydrochloride
CID 44891077
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

Frequently Asked Questions

What is the IUPAC name of (1S)-1-(1-methylimidazol-2-yl)ethanamine;dihydrochloride?
The IUPAC name of (1S)-1-(1-methylimidazol-2-yl)ethanamine;dihydrochloride (CID 162341662) is (1S)-1-(1-methylimidazol-2-yl)ethanamine;dihydrochloride.
What is the SMILES notation for (1S)-1-(1-methylimidazol-2-yl)ethanamine;dihydrochloride?
The canonical SMILES for (1S)-1-(1-methylimidazol-2-yl)ethanamine;dihydrochloride is C[C@H](N)c1nccn1C.Cl.Cl.
What is the InChIKey of (1S)-1-(1-methylimidazol-2-yl)ethanamine;dihydrochloride?
The InChIKey is QDPMQWLLLDXFFM-XRIGFGBMSA-N. The full InChI is InChI=1S/C6H11N3.2ClH/c1-5(7)6-8-3-4-9(6)2;;/h3-5H,7H2,1-2H3;2*1H/t5-;;/m0../s1.
What are the key properties of (1S)-1-(1-methylimidazol-2-yl)ethanamine;dihydrochloride?
(1S)-1-(1-methylimidazol-2-yl)ethanamine;dihydrochloride has a molecular weight of 198.10 g/mol, XLogP of 1.28, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (1S)-1-(1-methylimidazol-2-yl)ethanamine;dihydrochloride is sourced from PubChem (CID 162341662), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).