2-[5-(ethylaminomethyl)imidazol-1-yl]-N-propan-2-ylacetamide

C11H20N4O — CID 66146319

IUPAC2-[5-(ethylaminomethyl)imidazol-1-yl]-N-propan-2-ylacetamide
SMILESCCNCc1cncn1CC(=O)NC(C)C
InChIInChI=1S/C11H20N4O/c1-4-12-5-10-6-13-8-15(10)7-11(16)14-9(2)3/h6,8-9,12H,4-5,7H2,1-3H3,(H,14,16)
InChIKeyDZQHGPDXNFOUKY-UHFFFAOYSA-N
MW224.31 g/mol
LogP0.52
Rot. Bonds6

About 2-[5-(ethylaminomethyl)imidazol-1-yl]-N-propan-2-ylacetamide

2-[5-(ethylaminomethyl)imidazol-1-yl]-N-propan-2-ylacetamide (PubChem CID 66146319) has the molecular formula C11H20N4O and a molecular weight of 224.31 g/mol. Its IUPAC name is 2-[5-(ethylaminomethyl)imidazol-1-yl]-N-propan-2-ylacetamide.

Molecular Properties

Compound Name2-[5-(ethylaminomethyl)imidazol-1-yl]-N-propan-2-ylacetamide
PubChem CID66146319
Molecular FormulaC11H20N4O
Molecular Weight224.31 g/mol
Exact Mass224.16
IUPAC Name2-[5-(ethylaminomethyl)imidazol-1-yl]-N-propan-2-ylacetamide
SMILESCCNCc1cncn1CC(=O)NC(C)C
InChIInChI=1S/C11H20N4O/c1-4-12-5-10-6-13-8-15(10)7-11(16)14-9(2)3/h6,8-9,12H,4-5,7H2,1-3H3,(H,14,16)
InChIKeyDZQHGPDXNFOUKY-UHFFFAOYSA-N
XLogP0.52
TPSA58.95 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500224.31
LogP ≤ 50.52
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

2-[5-(methylaminomethyl)imidazol-1-yl]-N-propan-2-ylacetamide
CID 66146321
2-[5-[(2-methoxyethylamino)methyl]imidazol-1-yl]-N-propan-2-ylacetamide
CID 66146107
2-[5-(aminomethyl)imidazol-1-yl]-N-propan-2-ylacetamide
CID 66146106
N-propan-2-yl-2-[(3-propylimidazol-4-yl)methylamino]acetamide
CID 66132937
2-[(3-methylimidazol-4-yl)methylamino]-N-propan-2-ylacetamide
CID 62999572
4-[5-(ethylaminomethyl)imidazol-1-yl]-N-methyl-N-propan-2-ylbutan-1-amine
CID 66151168
N-[[3-(2-methoxypropyl)imidazol-4-yl]methyl]ethanamine
CID 102701714
3-[5-(ethylaminomethyl)imidazol-1-yl]-N-methyl-N-propan-2-ylpropan-1-amine
CID 106040180
2-[5-(4-amino-3-pyridinyl)imidazol-1-yl]-N-propan-2-ylacetamide
CID 114718031
N-[(3-butylimidazol-4-yl)methyl]ethanamine
CID 66146486
N-butan-2-yl-3-[5-[(2-methylpropylamino)methyl]imidazol-1-yl]propanamide
CID 66149485
N-[[3-(2,2-dimethylbutyl)imidazol-4-yl]methyl]ethanamine
CID 103466378

Frequently Asked Questions

What is the IUPAC name of 2-[5-(ethylaminomethyl)imidazol-1-yl]-N-propan-2-ylacetamide?
The IUPAC name of 2-[5-(ethylaminomethyl)imidazol-1-yl]-N-propan-2-ylacetamide (CID 66146319) is 2-[5-(ethylaminomethyl)imidazol-1-yl]-N-propan-2-ylacetamide.
What is the SMILES notation for 2-[5-(ethylaminomethyl)imidazol-1-yl]-N-propan-2-ylacetamide?
The canonical SMILES for 2-[5-(ethylaminomethyl)imidazol-1-yl]-N-propan-2-ylacetamide is CCNCc1cncn1CC(=O)NC(C)C.
What is the InChIKey of 2-[5-(ethylaminomethyl)imidazol-1-yl]-N-propan-2-ylacetamide?
The InChIKey is DZQHGPDXNFOUKY-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H20N4O/c1-4-12-5-10-6-13-8-15(10)7-11(16)14-9(2)3/h6,8-9,12H,4-5,7H2,1-3H3,(H,14,16).
What are the key properties of 2-[5-(ethylaminomethyl)imidazol-1-yl]-N-propan-2-ylacetamide?
2-[5-(ethylaminomethyl)imidazol-1-yl]-N-propan-2-ylacetamide has a molecular weight of 224.31 g/mol, XLogP of 0.52, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[5-(ethylaminomethyl)imidazol-1-yl]-N-propan-2-ylacetamide is sourced from PubChem (CID 66146319), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).