2-[4-(aminomethyl)imidazol-1-yl]-N-ethylacetamide

C8H14N4O — CID 106718094

IUPAC2-[4-(aminomethyl)imidazol-1-yl]-N-ethylacetamide
SMILESCCNC(=O)Cn1cnc(CN)c1
InChIInChI=1S/C8H14N4O/c1-2-10-8(13)5-12-4-7(3-9)11-6-12/h4,6H,2-3,5,9H2,1H3,(H,10,13)
InChIKeyXVGBGBJDUINVQW-UHFFFAOYSA-N
MW182.23 g/mol
LogP-0.52
Rot. Bonds4

About 2-[4-(aminomethyl)imidazol-1-yl]-N-ethylacetamide

2-[4-(aminomethyl)imidazol-1-yl]-N-ethylacetamide (PubChem CID 106718094) has the molecular formula C8H14N4O and a molecular weight of 182.23 g/mol. Its IUPAC name is 2-[4-(aminomethyl)imidazol-1-yl]-N-ethylacetamide.

Molecular Properties

Compound Name2-[4-(aminomethyl)imidazol-1-yl]-N-ethylacetamide
PubChem CID106718094
Molecular FormulaC8H14N4O
Molecular Weight182.23 g/mol
Exact Mass182.12
IUPAC Name2-[4-(aminomethyl)imidazol-1-yl]-N-ethylacetamide
SMILESCCNC(=O)Cn1cnc(CN)c1
InChIInChI=1S/C8H14N4O/c1-2-10-8(13)5-12-4-7(3-9)11-6-12/h4,6H,2-3,5,9H2,1H3,(H,10,13)
InChIKeyXVGBGBJDUINVQW-UHFFFAOYSA-N
XLogP-0.52
TPSA72.94 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500182.23
LogP ≤ 5-0.52
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-ethyl-2-(4-formylimidazol-1-yl)acetamide
CID 106716614
2-[4-(aminomethyl)imidazol-1-yl]-N-(4-chlorophenyl)acetamide
CID 106718057
N-(cyanomethyl)-2-[4-[2-(ethylamino)ethyl]imidazol-1-yl]acetamide
CID 79985506
2-(4-ethylimidazol-1-yl)acetic acid
CID 54402950
2-[4-(hydroxymethyl)imidazol-1-yl]-N-(3-methylbutyl)acetamide
CID 106717474
N-butyl-2-[4-[(propan-2-ylamino)methyl]imidazol-1-yl]acetamide
CID 106719404
N-tert-butyl-2-[4-[2-(ethylamino)ethyl]imidazol-1-yl]acetamide
CID 79985501
N-cyclopropyl-2-[4-(ethylaminomethyl)imidazol-1-yl]acetamide
CID 106718782
N-(2-methylpropyl)-2-[4-[2-(propylamino)ethyl]imidazol-1-yl]acetamide
CID 79984949
N-(2-methoxyethyl)-2-[4-[(2-methoxyethylamino)methyl]imidazol-1-yl]acetamide
CID 106720510
N-(2-cyanoethyl)-2-[4-(hydroxymethyl)imidazol-1-yl]acetamide
CID 106717415
N-(3-methylbutyl)-2-[4-[(propan-2-ylamino)methyl]imidazol-1-yl]acetamide
CID 106719405

Frequently Asked Questions

What is the IUPAC name of 2-[4-(aminomethyl)imidazol-1-yl]-N-ethylacetamide?
The IUPAC name of 2-[4-(aminomethyl)imidazol-1-yl]-N-ethylacetamide (CID 106718094) is 2-[4-(aminomethyl)imidazol-1-yl]-N-ethylacetamide.
What is the SMILES notation for 2-[4-(aminomethyl)imidazol-1-yl]-N-ethylacetamide?
The canonical SMILES for 2-[4-(aminomethyl)imidazol-1-yl]-N-ethylacetamide is CCNC(=O)Cn1cnc(CN)c1.
What is the InChIKey of 2-[4-(aminomethyl)imidazol-1-yl]-N-ethylacetamide?
The InChIKey is XVGBGBJDUINVQW-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H14N4O/c1-2-10-8(13)5-12-4-7(3-9)11-6-12/h4,6H,2-3,5,9H2,1H3,(H,10,13).
What are the key properties of 2-[4-(aminomethyl)imidazol-1-yl]-N-ethylacetamide?
2-[4-(aminomethyl)imidazol-1-yl]-N-ethylacetamide has a molecular weight of 182.23 g/mol, XLogP of -0.52, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-(aminomethyl)imidazol-1-yl]-N-ethylacetamide is sourced from PubChem (CID 106718094), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).