ethyl 2-[ethyl-[(3-propylimidazol-4-yl)methyl]amino]acetate

C13H23N3O2 — CID 66153811

IUPACethyl 2-[ethyl-[(3-propylimidazol-4-yl)methyl]amino]acetate
SMILESCCCn1cncc1CN(CC)CC(=O)OCC
InChIInChI=1S/C13H23N3O2/c1-4-7-16-11-14-8-12(16)9-15(5-2)10-13(17)18-6-3/h8,11H,4-7,9-10H2,1-3H3
InChIKeyKTNXARUJOYLRAG-UHFFFAOYSA-N
MW253.35 g/mol
LogP1.68
Rot. Bonds8

About ethyl 2-[ethyl-[(3-propylimidazol-4-yl)methyl]amino]acetate

ethyl 2-[ethyl-[(3-propylimidazol-4-yl)methyl]amino]acetate (PubChem CID 66153811) has the molecular formula C13H23N3O2 and a molecular weight of 253.35 g/mol. Its IUPAC name is ethyl 2-[ethyl-[(3-propylimidazol-4-yl)methyl]amino]acetate.

Molecular Properties

Compound Nameethyl 2-[ethyl-[(3-propylimidazol-4-yl)methyl]amino]acetate
PubChem CID66153811
Molecular FormulaC13H23N3O2
Molecular Weight253.35 g/mol
Exact Mass253.18
IUPAC Nameethyl 2-[ethyl-[(3-propylimidazol-4-yl)methyl]amino]acetate
SMILESCCCn1cncc1CN(CC)CC(=O)OCC
InChIInChI=1S/C13H23N3O2/c1-4-7-16-11-14-8-12(16)9-15(5-2)10-13(17)18-6-3/h8,11H,4-7,9-10H2,1-3H3
InChIKeyKTNXARUJOYLRAG-UHFFFAOYSA-N
XLogP1.68
TPSA47.36 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500253.35
LogP ≤ 51.68
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

ethyl 3-[5-(2-aminoethyl)imidazol-1-yl]propanoate
CID 114719017
2-methyl-2-[methyl-[(3-propylimidazol-4-yl)methyl]amino]propanoic acid
CID 66130860
ethyl 4-[5-(chloromethyl)imidazol-1-yl]butanoate;hydrochloride
CID 174382996
(2S)-2-amino-3-(3-propylimidazol-4-yl)propanoic acid
CID 54225588
2,2-dimethyl-N'-propyl-N'-[(3-propylimidazol-4-yl)methyl]propane-1,3-diamine
CID 79660957
2-[methyl-[(3-propylimidazol-4-yl)methyl]amino]propan-1-ol
CID 104554083
methyl (2S)-3-methyl-2-[(3-propylimidazol-4-yl)methylamino]butanoate
CID 66130342
methyl 2-(aminomethyl)-3-(3-propylimidazol-4-yl)propanoate
CID 66130533
methyl 2-[(3-propylimidazol-4-yl)methylamino]butanoate
CID 114283727
ethyl 3-morpholin-4-yl-3-(3-propylimidazol-4-yl)propanoate
CID 66131257
ethane;5-methyl-1-propylimidazole
CID 143939633
ethyl 2-anilino-2-(3-propylimidazol-4-yl)acetate
CID 66130621

Frequently Asked Questions

What is the IUPAC name of ethyl 2-[ethyl-[(3-propylimidazol-4-yl)methyl]amino]acetate?
The IUPAC name of ethyl 2-[ethyl-[(3-propylimidazol-4-yl)methyl]amino]acetate (CID 66153811) is ethyl 2-[ethyl-[(3-propylimidazol-4-yl)methyl]amino]acetate.
What is the SMILES notation for ethyl 2-[ethyl-[(3-propylimidazol-4-yl)methyl]amino]acetate?
The canonical SMILES for ethyl 2-[ethyl-[(3-propylimidazol-4-yl)methyl]amino]acetate is CCCn1cncc1CN(CC)CC(=O)OCC.
What is the InChIKey of ethyl 2-[ethyl-[(3-propylimidazol-4-yl)methyl]amino]acetate?
The InChIKey is KTNXARUJOYLRAG-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H23N3O2/c1-4-7-16-11-14-8-12(16)9-15(5-2)10-13(17)18-6-3/h8,11H,4-7,9-10H2,1-3H3.
What are the key properties of ethyl 2-[ethyl-[(3-propylimidazol-4-yl)methyl]amino]acetate?
ethyl 2-[ethyl-[(3-propylimidazol-4-yl)methyl]amino]acetate has a molecular weight of 253.35 g/mol, XLogP of 1.68, 8 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2-[ethyl-[(3-propylimidazol-4-yl)methyl]amino]acetate is sourced from PubChem (CID 66153811), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).