2-[4-(2-aminoethyl)imidazol-1-yl]-N-methyl-N-propan-2-ylacetamide

C11H20N4O — CID 79983244

IUPAC2-[4-(2-aminoethyl)imidazol-1-yl]-N-methyl-N-propan-2-ylacetamide
SMILESCC(C)N(C)C(=O)Cn1cnc(CCN)c1
InChIInChI=1S/C11H20N4O/c1-9(2)14(3)11(16)7-15-6-10(4-5-12)13-8-15/h6,8-9H,4-5,7,12H2,1-3H3
InChIKeyWIEAOKHVTSCQBP-UHFFFAOYSA-N
MW224.31 g/mol
LogP0.25
Rot. Bonds5

About 2-[4-(2-aminoethyl)imidazol-1-yl]-N-methyl-N-propan-2-ylacetamide

2-[4-(2-aminoethyl)imidazol-1-yl]-N-methyl-N-propan-2-ylacetamide (PubChem CID 79983244) has the molecular formula C11H20N4O and a molecular weight of 224.31 g/mol. Its IUPAC name is 2-[4-(2-aminoethyl)imidazol-1-yl]-N-methyl-N-propan-2-ylacetamide.

Molecular Properties

Compound Name2-[4-(2-aminoethyl)imidazol-1-yl]-N-methyl-N-propan-2-ylacetamide
PubChem CID79983244
Molecular FormulaC11H20N4O
Molecular Weight224.31 g/mol
Exact Mass224.16
IUPAC Name2-[4-(2-aminoethyl)imidazol-1-yl]-N-methyl-N-propan-2-ylacetamide
SMILESCC(C)N(C)C(=O)Cn1cnc(CCN)c1
InChIInChI=1S/C11H20N4O/c1-9(2)14(3)11(16)7-15-6-10(4-5-12)13-8-15/h6,8-9H,4-5,7,12H2,1-3H3
InChIKeyWIEAOKHVTSCQBP-UHFFFAOYSA-N
XLogP0.25
TPSA64.15 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500224.31
LogP ≤ 50.25
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-[4-(2-aminoethyl)imidazol-1-yl]-N-methyl-N-propan-2-ylacetamide?
The IUPAC name of 2-[4-(2-aminoethyl)imidazol-1-yl]-N-methyl-N-propan-2-ylacetamide (CID 79983244) is 2-[4-(2-aminoethyl)imidazol-1-yl]-N-methyl-N-propan-2-ylacetamide.
What is the SMILES notation for 2-[4-(2-aminoethyl)imidazol-1-yl]-N-methyl-N-propan-2-ylacetamide?
The canonical SMILES for 2-[4-(2-aminoethyl)imidazol-1-yl]-N-methyl-N-propan-2-ylacetamide is CC(C)N(C)C(=O)Cn1cnc(CCN)c1.
What is the InChIKey of 2-[4-(2-aminoethyl)imidazol-1-yl]-N-methyl-N-propan-2-ylacetamide?
The InChIKey is WIEAOKHVTSCQBP-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H20N4O/c1-9(2)14(3)11(16)7-15-6-10(4-5-12)13-8-15/h6,8-9H,4-5,7,12H2,1-3H3.
What are the key properties of 2-[4-(2-aminoethyl)imidazol-1-yl]-N-methyl-N-propan-2-ylacetamide?
2-[4-(2-aminoethyl)imidazol-1-yl]-N-methyl-N-propan-2-ylacetamide has a molecular weight of 224.31 g/mol, XLogP of 0.25, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-(2-aminoethyl)imidazol-1-yl]-N-methyl-N-propan-2-ylacetamide is sourced from PubChem (CID 79983244), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).