2-(3-methyl-2H-imidazol-1-yl)ethanamine

C6H13N3 — CID 66897675

IUPAC2-(3-methyl-2H-imidazol-1-yl)ethanamine
SMILESCN1C=CN(CCN)C1
InChIInChI=1S/C6H13N3/c1-8-4-5-9(6-8)3-2-7/h4-5H,2-3,6-7H2,1H3
InChIKeyPGZLBPCTHYIUID-UHFFFAOYSA-N
MW127.19 g/mol
LogP-0.38
Rot. Bonds2

About 2-(3-methyl-2H-imidazol-1-yl)ethanamine

2-(3-methyl-2H-imidazol-1-yl)ethanamine (PubChem CID 66897675) has the molecular formula C6H13N3 and a molecular weight of 127.19 g/mol. Its IUPAC name is 2-(3-methyl-2H-imidazol-1-yl)ethanamine.

Molecular Properties

Compound Name2-(3-methyl-2H-imidazol-1-yl)ethanamine
PubChem CID66897675
Molecular FormulaC6H13N3
Molecular Weight127.19 g/mol
Exact Mass127.11
IUPAC Name2-(3-methyl-2H-imidazol-1-yl)ethanamine
SMILESCN1C=CN(CCN)C1
InChIInChI=1S/C6H13N3/c1-8-4-5-9(6-8)3-2-7/h4-5H,2-3,6-7H2,1H3
InChIKeyPGZLBPCTHYIUID-UHFFFAOYSA-N
XLogP-0.38
TPSA32.50 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500127.19
LogP ≤ 5-0.38
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

3-Methyl-1 h-imidazole
CID 5254862
1H-Imidazole, 2,3-dihydro-2-methyl-
CID 10165410
3-Methyl-1,2-dihydroimidazol-2-amine
CID 44330796
1H-Imidazolium, 1-ethyl-3-methyl-, chloride
CID 66822491
3-(3-methyl-2H-imidazol-1-yl)propan-1-amine
CID 91409867
3,5-Diaza-1-heptene
CID 129742235
3-(2-Aminoethyl)-1-vinylimidazole
CID 168152195
1-Ethyl-2,3-dimethyl-2,3-dihydro-1H-imidazol-1-ium iodide
CID 71343489
1-Ethenyl-3-ethyl-2,3-dihydro-1H-imidazol-1-ium bromide
CID 71361034
1,3-Diethyl-2,3-dihydro-1H-imidazol-1-ium bromide
CID 71364770
3-Ethyl-1-methyl-1,2-dihydroimidazol-1-ium
CID 101098827
3-Ethyl-1-methyl-1,2-dihydroimidazol-1-ium chloride
CID 164511525

Frequently Asked Questions

What is the IUPAC name of 2-(3-methyl-2H-imidazol-1-yl)ethanamine?
The IUPAC name of 2-(3-methyl-2H-imidazol-1-yl)ethanamine (CID 66897675) is 2-(3-methyl-2H-imidazol-1-yl)ethanamine.
What is the SMILES notation for 2-(3-methyl-2H-imidazol-1-yl)ethanamine?
The canonical SMILES for 2-(3-methyl-2H-imidazol-1-yl)ethanamine is CN1C=CN(CCN)C1.
What is the InChIKey of 2-(3-methyl-2H-imidazol-1-yl)ethanamine?
The InChIKey is PGZLBPCTHYIUID-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H13N3/c1-8-4-5-9(6-8)3-2-7/h4-5H,2-3,6-7H2,1H3.
What are the key properties of 2-(3-methyl-2H-imidazol-1-yl)ethanamine?
2-(3-methyl-2H-imidazol-1-yl)ethanamine has a molecular weight of 127.19 g/mol, XLogP of -0.38, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-methyl-2H-imidazol-1-yl)ethanamine is sourced from PubChem (CID 66897675), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).