2-[5-(aminomethyl)-4-methylimidazol-1-yl]-N-tert-butylacetamide

C11H20N4O — CID 21224503

IUPAC2-[5-(aminomethyl)-4-methylimidazol-1-yl]-N-tert-butylacetamide
SMILESCc1ncn(CC(=O)NC(C)(C)C)c1CN
InChIInChI=1S/C11H20N4O/c1-8-9(5-12)15(7-13-8)6-10(16)14-11(2,3)4/h7H,5-6,12H2,1-4H3,(H,14,16)
InChIKeyXJEQPEDKHOBPNU-UHFFFAOYSA-N
MW224.31 g/mol
LogP0.56
Rot. Bonds3

About 2-[5-(aminomethyl)-4-methylimidazol-1-yl]-N-tert-butylacetamide

2-[5-(aminomethyl)-4-methylimidazol-1-yl]-N-tert-butylacetamide (PubChem CID 21224503) has the molecular formula C11H20N4O and a molecular weight of 224.31 g/mol. Its IUPAC name is 2-[5-(aminomethyl)-4-methylimidazol-1-yl]-N-tert-butylacetamide.

Molecular Properties

Compound Name2-[5-(aminomethyl)-4-methylimidazol-1-yl]-N-tert-butylacetamide
PubChem CID21224503
Molecular FormulaC11H20N4O
Molecular Weight224.31 g/mol
Exact Mass224.16
IUPAC Name2-[5-(aminomethyl)-4-methylimidazol-1-yl]-N-tert-butylacetamide
SMILESCc1ncn(CC(=O)NC(C)(C)C)c1CN
InChIInChI=1S/C11H20N4O/c1-8-9(5-12)15(7-13-8)6-10(16)14-11(2,3)4/h7H,5-6,12H2,1-4H3,(H,14,16)
InChIKeyXJEQPEDKHOBPNU-UHFFFAOYSA-N
XLogP0.56
TPSA72.94 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500224.31
LogP ≤ 50.56
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-[5-(aminomethyl)-4-methylimidazol-1-yl]-N-tert-butylacetamide?
The IUPAC name of 2-[5-(aminomethyl)-4-methylimidazol-1-yl]-N-tert-butylacetamide (CID 21224503) is 2-[5-(aminomethyl)-4-methylimidazol-1-yl]-N-tert-butylacetamide.
What is the SMILES notation for 2-[5-(aminomethyl)-4-methylimidazol-1-yl]-N-tert-butylacetamide?
The canonical SMILES for 2-[5-(aminomethyl)-4-methylimidazol-1-yl]-N-tert-butylacetamide is Cc1ncn(CC(=O)NC(C)(C)C)c1CN.
What is the InChIKey of 2-[5-(aminomethyl)-4-methylimidazol-1-yl]-N-tert-butylacetamide?
The InChIKey is XJEQPEDKHOBPNU-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H20N4O/c1-8-9(5-12)15(7-13-8)6-10(16)14-11(2,3)4/h7H,5-6,12H2,1-4H3,(H,14,16).
What are the key properties of 2-[5-(aminomethyl)-4-methylimidazol-1-yl]-N-tert-butylacetamide?
2-[5-(aminomethyl)-4-methylimidazol-1-yl]-N-tert-butylacetamide has a molecular weight of 224.31 g/mol, XLogP of 0.56, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[5-(aminomethyl)-4-methylimidazol-1-yl]-N-tert-butylacetamide is sourced from PubChem (CID 21224503), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).