pentyl 1-(2-aminoethyl)imidazole-4-carboxylate

C11H19N3O2 — CID 107499310

IUPACpentyl 1-(2-aminoethyl)imidazole-4-carboxylate
SMILESCCCCCOC(=O)c1cn(CCN)cn1
InChIInChI=1S/C11H19N3O2/c1-2-3-4-7-16-11(15)10-8-14(6-5-12)9-13-10/h8-9H,2-7,12H2,1H3
InChIKeyGJEGPPQPRHWIEW-UHFFFAOYSA-N
MW225.29 g/mol
LogP1.19
Rot. Bonds7

About pentyl 1-(2-aminoethyl)imidazole-4-carboxylate

pentyl 1-(2-aminoethyl)imidazole-4-carboxylate (PubChem CID 107499310) has the molecular formula C11H19N3O2 and a molecular weight of 225.29 g/mol. Its IUPAC name is pentyl 1-(2-aminoethyl)imidazole-4-carboxylate.

Molecular Properties

Compound Namepentyl 1-(2-aminoethyl)imidazole-4-carboxylate
PubChem CID107499310
Molecular FormulaC11H19N3O2
Molecular Weight225.29 g/mol
Exact Mass225.15
IUPAC Namepentyl 1-(2-aminoethyl)imidazole-4-carboxylate
SMILESCCCCCOC(=O)c1cn(CCN)cn1
InChIInChI=1S/C11H19N3O2/c1-2-3-4-7-16-11(15)10-8-14(6-5-12)9-13-10/h8-9H,2-7,12H2,1H3
InChIKeyGJEGPPQPRHWIEW-UHFFFAOYSA-N
XLogP1.19
TPSA70.14 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500225.29
LogP ≤ 51.19
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

1-methoxypropan-2-yl 1-(2-aminoethyl)imidazole-4-carboxylate
CID 107499337
1-(2-aminoethyl)-N-[4-(2-methoxyethoxy)butyl]imidazole-4-carboxamide
CID 107499702
1-(2-aminoethyl)-N-(4-butylphenyl)imidazole-4-carboxamide
CID 107495955
1-[1-(2-aminoethyl)imidazol-4-yl]-2-(2-propyl-1,2,4-triazol-3-yl)ethanone
CID 107501507
1-[1-(2-aminoethyl)imidazol-4-yl]-2-(2,5-dimethylpyrazol-3-yl)ethanone
CID 107501634
1-[1-(2-aminoethyl)imidazol-4-yl]hex-4-yn-1-one
CID 107501445
1-(2-aminoethyl)-N-[3-oxo-3-(propylamino)propyl]imidazole-4-carboxamide
CID 107498083
1-(2-aminoethyl)-N-(3,3-dimethylbutan-2-yl)imidazole-4-carboxamide
CID 107499699
1-(2-aminoethyl)-N-[1-hydroxy-2-(hydroxymethyl)butan-2-yl]imidazole-4-carboxamide
CID 107865602
1-(2-aminoethyl)-N-(2-methylcyclopropyl)imidazole-4-carboxamide
CID 107498238
6-O-decyl 2-O-nonyl pyridine-2,6-dicarboxylate
CID 91725154
1-(2-aminoethyl)-N-[(1-methylpiperidin-4-yl)methyl]imidazole-4-carboxamide
CID 107498035

Frequently Asked Questions

What is the IUPAC name of pentyl 1-(2-aminoethyl)imidazole-4-carboxylate?
The IUPAC name of pentyl 1-(2-aminoethyl)imidazole-4-carboxylate (CID 107499310) is pentyl 1-(2-aminoethyl)imidazole-4-carboxylate.
What is the SMILES notation for pentyl 1-(2-aminoethyl)imidazole-4-carboxylate?
The canonical SMILES for pentyl 1-(2-aminoethyl)imidazole-4-carboxylate is CCCCCOC(=O)c1cn(CCN)cn1.
What is the InChIKey of pentyl 1-(2-aminoethyl)imidazole-4-carboxylate?
The InChIKey is GJEGPPQPRHWIEW-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H19N3O2/c1-2-3-4-7-16-11(15)10-8-14(6-5-12)9-13-10/h8-9H,2-7,12H2,1H3.
What are the key properties of pentyl 1-(2-aminoethyl)imidazole-4-carboxylate?
pentyl 1-(2-aminoethyl)imidazole-4-carboxylate has a molecular weight of 225.29 g/mol, XLogP of 1.19, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for pentyl 1-(2-aminoethyl)imidazole-4-carboxylate is sourced from PubChem (CID 107499310), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).