ethyl 1-[3-(cyclohexylamino)propyl]imidazole-4-carboxylate

C15H25N3O2 — CID 12025017

IUPACethyl 1-[3-(cyclohexylamino)propyl]imidazole-4-carboxylate
SMILESCCOC(=O)c1cn(CCCNC2CCCCC2)cn1
InChIInChI=1S/C15H25N3O2/c1-2-20-15(19)14-11-18(12-17-14)10-6-9-16-13-7-4-3-5-8-13/h11-13,16H,2-10H2,1H3
InChIKeyLLSPMQPXFWNTRK-UHFFFAOYSA-N
MW279.38 g/mol
LogP2.37
Rot. Bonds7

About ethyl 1-[3-(cyclohexylamino)propyl]imidazole-4-carboxylate

ethyl 1-[3-(cyclohexylamino)propyl]imidazole-4-carboxylate (PubChem CID 12025017) has the molecular formula C15H25N3O2 and a molecular weight of 279.38 g/mol. Its IUPAC name is ethyl 1-[3-(cyclohexylamino)propyl]imidazole-4-carboxylate.

Molecular Properties

Compound Nameethyl 1-[3-(cyclohexylamino)propyl]imidazole-4-carboxylate
PubChem CID12025017
Molecular FormulaC15H25N3O2
Molecular Weight279.38 g/mol
Exact Mass279.19
IUPAC Nameethyl 1-[3-(cyclohexylamino)propyl]imidazole-4-carboxylate
SMILESCCOC(=O)c1cn(CCCNC2CCCCC2)cn1
InChIInChI=1S/C15H25N3O2/c1-2-20-15(19)14-11-18(12-17-14)10-6-9-16-13-7-4-3-5-8-13/h11-13,16H,2-10H2,1H3
InChIKeyLLSPMQPXFWNTRK-UHFFFAOYSA-N
XLogP2.37
TPSA56.15 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500279.38
LogP ≤ 52.37
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

Analyze ethyl 1-[3-(cyclohexylamino)propyl]imidazole-4-carboxylate with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of ethyl 1-[3-(cyclohexylamino)propyl]imidazole-4-carboxylate?
The IUPAC name of ethyl 1-[3-(cyclohexylamino)propyl]imidazole-4-carboxylate (CID 12025017) is ethyl 1-[3-(cyclohexylamino)propyl]imidazole-4-carboxylate.
What is the SMILES notation for ethyl 1-[3-(cyclohexylamino)propyl]imidazole-4-carboxylate?
The canonical SMILES for ethyl 1-[3-(cyclohexylamino)propyl]imidazole-4-carboxylate is CCOC(=O)c1cn(CCCNC2CCCCC2)cn1.
What is the InChIKey of ethyl 1-[3-(cyclohexylamino)propyl]imidazole-4-carboxylate?
The InChIKey is LLSPMQPXFWNTRK-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H25N3O2/c1-2-20-15(19)14-11-18(12-17-14)10-6-9-16-13-7-4-3-5-8-13/h11-13,16H,2-10H2,1H3.
What are the key properties of ethyl 1-[3-(cyclohexylamino)propyl]imidazole-4-carboxylate?
ethyl 1-[3-(cyclohexylamino)propyl]imidazole-4-carboxylate has a molecular weight of 279.38 g/mol, XLogP of 2.37, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 1-[3-(cyclohexylamino)propyl]imidazole-4-carboxylate is sourced from PubChem (CID 12025017), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).