ethyl 2-[4-(propylaminomethyl)imidazol-1-yl]pentanoate

C14H25N3O2 — CID 106719239

IUPACethyl 2-[4-(propylaminomethyl)imidazol-1-yl]pentanoate
SMILESCCCNCc1cn(C(CCC)C(=O)OCC)cn1
InChIInChI=1S/C14H25N3O2/c1-4-7-13(14(18)19-6-3)17-10-12(16-11-17)9-15-8-5-2/h10-11,13,15H,4-9H2,1-3H3
InChIKeyINYDOJBIYCDYIE-UHFFFAOYSA-N
MW267.37 g/mol
LogP2.29
Rot. Bonds9

About ethyl 2-[4-(propylaminomethyl)imidazol-1-yl]pentanoate

ethyl 2-[4-(propylaminomethyl)imidazol-1-yl]pentanoate (PubChem CID 106719239) has the molecular formula C14H25N3O2 and a molecular weight of 267.37 g/mol. Its IUPAC name is ethyl 2-[4-(propylaminomethyl)imidazol-1-yl]pentanoate.

Molecular Properties

Compound Nameethyl 2-[4-(propylaminomethyl)imidazol-1-yl]pentanoate
PubChem CID106719239
Molecular FormulaC14H25N3O2
Molecular Weight267.37 g/mol
Exact Mass267.19
IUPAC Nameethyl 2-[4-(propylaminomethyl)imidazol-1-yl]pentanoate
SMILESCCCNCc1cn(C(CCC)C(=O)OCC)cn1
InChIInChI=1S/C14H25N3O2/c1-4-7-13(14(18)19-6-3)17-10-12(16-11-17)9-15-8-5-2/h10-11,13,15H,4-9H2,1-3H3
InChIKeyINYDOJBIYCDYIE-UHFFFAOYSA-N
XLogP2.29
TPSA56.15 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds9
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500267.37
LogP ≤ 52.29
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

ethyl 2-[4-[(cyclopropylamino)methyl]imidazol-1-yl]pentanoate
CID 106719963
N-[[1-(dicyclopropylmethyl)imidazol-4-yl]methyl]propan-1-amine
CID 114204180
5-[4-(propylaminomethyl)imidazol-1-yl]pentanamide
CID 114281742
N-[[1-(1-methoxy-3-methylbutan-2-yl)imidazol-4-yl]methyl]propan-1-amine
CID 114204333
methyl 2-[4-(propylaminomethyl)imidazol-1-yl]acetate
CID 106719124
ethyl 2-[4-[(cyclopropylamino)methyl]imidazol-1-yl]propanoate
CID 106719998
ethyl 2-[2-[(2-methoxyethylamino)methyl]imidazol-1-yl]pentanoate
CID 83050060
N-cyclopropyl-N-ethyl-2-[4-(propylaminomethyl)imidazol-1-yl]acetamide
CID 106719093
3-[4-(propylaminomethyl)imidazol-1-yl]propane-1,2-diol
CID 106719229
N-[[1-(1-thiophen-2-ylpropan-2-yl)imidazol-4-yl]methyl]propan-1-amine
CID 114204286
2-[4-[(cyclopropylamino)methyl]imidazol-1-yl]butanamide
CID 106720002
ethyl 2-(4-methylpyrazol-1-yl)pentanoate
CID 83037654

Frequently Asked Questions

What is the IUPAC name of ethyl 2-[4-(propylaminomethyl)imidazol-1-yl]pentanoate?
The IUPAC name of ethyl 2-[4-(propylaminomethyl)imidazol-1-yl]pentanoate (CID 106719239) is ethyl 2-[4-(propylaminomethyl)imidazol-1-yl]pentanoate.
What is the SMILES notation for ethyl 2-[4-(propylaminomethyl)imidazol-1-yl]pentanoate?
The canonical SMILES for ethyl 2-[4-(propylaminomethyl)imidazol-1-yl]pentanoate is CCCNCc1cn(C(CCC)C(=O)OCC)cn1.
What is the InChIKey of ethyl 2-[4-(propylaminomethyl)imidazol-1-yl]pentanoate?
The InChIKey is INYDOJBIYCDYIE-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H25N3O2/c1-4-7-13(14(18)19-6-3)17-10-12(16-11-17)9-15-8-5-2/h10-11,13,15H,4-9H2,1-3H3.
What are the key properties of ethyl 2-[4-(propylaminomethyl)imidazol-1-yl]pentanoate?
ethyl 2-[4-(propylaminomethyl)imidazol-1-yl]pentanoate has a molecular weight of 267.37 g/mol, XLogP of 2.29, 9 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2-[4-(propylaminomethyl)imidazol-1-yl]pentanoate is sourced from PubChem (CID 106719239), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).