2-imidazol-1-yl-N-methylethanamine

C6H11N3 — CID 6483896

IUPAC2-imidazol-1-yl-N-methylethanamine
SMILESCNCCn1ccnc1
InChIInChI=1S/C6H11N3/c1-7-2-4-9-5-3-8-6-9/h3,5-7H,2,4H2,1H3
InChIKeyUUHRZOGUDROUKQ-UHFFFAOYSA-N
MW125.17 g/mol
LogP0.10
Rot. Bonds3

About 2-imidazol-1-yl-N-methylethanamine

2-imidazol-1-yl-N-methylethanamine (PubChem CID 6483896) has the molecular formula C6H11N3 and a molecular weight of 125.17 g/mol. Its IUPAC name is 2-imidazol-1-yl-N-methylethanamine.

Molecular Properties

Compound Name2-imidazol-1-yl-N-methylethanamine
PubChem CID6483896
Molecular FormulaC6H11N3
Molecular Weight125.17 g/mol
Exact Mass125.10
IUPAC Name2-imidazol-1-yl-N-methylethanamine
SMILESCNCCn1ccnc1
InChIInChI=1S/C6H11N3/c1-7-2-4-9-5-3-8-6-9/h3,5-7H,2,4H2,1H3
InChIKeyUUHRZOGUDROUKQ-UHFFFAOYSA-N
XLogP0.10
TPSA29.85 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500125.17
LogP ≤ 50.10
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

Imidazole
CID 795
2-Methylimidazole
CID 12749
1-Methylimidazole
CID 1390
Butylimidazole
CID 61347
1,2-Dimethylimidazole
CID 15617
2-Ethylimidazole
CID 66130
1-Vinylimidazole
CID 66171
1H-Imidazole-1-propanamine
CID 78736
1-Ethyl-3-methylimidazolium chloride
CID 2734160
2-Aminoimidazole
CID 82140
1H-Imidazolium, 3-ethyl-1-methyl-, salt with N-cyanocyanamide (1:1)
CID 11159638
1-Pentyl-1H-imidazole
CID 529334

Frequently Asked Questions

What is the IUPAC name of 2-imidazol-1-yl-N-methylethanamine?
The IUPAC name of 2-imidazol-1-yl-N-methylethanamine (CID 6483896) is 2-imidazol-1-yl-N-methylethanamine.
What is the SMILES notation for 2-imidazol-1-yl-N-methylethanamine?
The canonical SMILES for 2-imidazol-1-yl-N-methylethanamine is CNCCn1ccnc1.
What is the InChIKey of 2-imidazol-1-yl-N-methylethanamine?
The InChIKey is UUHRZOGUDROUKQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H11N3/c1-7-2-4-9-5-3-8-6-9/h3,5-7H,2,4H2,1H3.
What are the key properties of 2-imidazol-1-yl-N-methylethanamine?
2-imidazol-1-yl-N-methylethanamine has a molecular weight of 125.17 g/mol, XLogP of 0.10, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-imidazol-1-yl-N-methylethanamine is sourced from PubChem (CID 6483896), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).