methyl 5-[[(1-ethylcyclopentyl)methylamino]methyl]furan-3-carboxylate

C15H23NO3 — CID 104586495

IUPACmethyl 5-[[(1-ethylcyclopentyl)methylamino]methyl]furan-3-carboxylate
SMILESCCC1(CNCc2cc(C(=O)OC)co2)CCCC1
InChIInChI=1S/C15H23NO3/c1-3-15(6-4-5-7-15)11-16-9-13-8-12(10-19-13)14(17)18-2/h8,10,16H,3-7,9,11H2,1-2H3
InChIKeyHZMFGCHWBCVZGM-UHFFFAOYSA-N
MW265.35 g/mol
LogP3.13
Rot. Bonds6

About methyl 5-[[(1-ethylcyclopentyl)methylamino]methyl]furan-3-carboxylate

methyl 5-[[(1-ethylcyclopentyl)methylamino]methyl]furan-3-carboxylate (PubChem CID 104586495) has the molecular formula C15H23NO3 and a molecular weight of 265.35 g/mol. Its IUPAC name is methyl 5-[[(1-ethylcyclopentyl)methylamino]methyl]furan-3-carboxylate.

Molecular Properties

Compound Namemethyl 5-[[(1-ethylcyclopentyl)methylamino]methyl]furan-3-carboxylate
PubChem CID104586495
Molecular FormulaC15H23NO3
Molecular Weight265.35 g/mol
Exact Mass265.17
IUPAC Namemethyl 5-[[(1-ethylcyclopentyl)methylamino]methyl]furan-3-carboxylate
SMILESCCC1(CNCc2cc(C(=O)OC)co2)CCCC1
InChIInChI=1S/C15H23NO3/c1-3-15(6-4-5-7-15)11-16-9-13-8-12(10-19-13)14(17)18-2/h8,10,16H,3-7,9,11H2,1-2H3
InChIKeyHZMFGCHWBCVZGM-UHFFFAOYSA-N
XLogP3.13
TPSA51.47 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.35
LogP ≤ 53.13
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze methyl 5-[[(1-ethylcyclopentyl)methylamino]methyl]furan-3-carboxylate with MolForge

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

Launch Full Analysis

Related Compounds

methyl 5-[[(1-methylcyclobutyl)methylamino]methyl]furan-3-carboxylate
CID 104586478
methyl 5-[[(1-propan-2-ylcyclopropyl)methylamino]methyl]furan-3-carboxylate
CID 104586464
methyl 5-ethylfuran-3-carboxylate
CID 23661323
methyl 4-[[(1-ethylcyclopropyl)methylamino]methyl]benzoate
CID 103923539
methyl 5-[[(2-hydroxycyclohexyl)methylamino]methyl]furan-3-carboxylate
CID 104586370
5-[[(1-ethylcyclopentyl)methylamino]methyl]-1,2-oxazole-3-carboxylic acid
CID 114126003
methyl 5-[[(2-hydroxy-4-methylpentyl)amino]methyl]furan-3-carboxylate
CID 104586138
methyl 5-[[2-(oxolan-2-yl)ethylamino]methyl]furan-3-carboxylate
CID 104585942
methyl 5-[[[3-(dimethylamino)-3-oxopropyl]amino]methyl]furan-3-carboxylate
CID 104586143
methyl 5-[(2-cyanoethylamino)methyl]furan-3-carboxylate
CID 104608135
methyl 5-[(1,2,4-oxadiazol-3-ylmethylamino)methyl]furan-3-carboxylate
CID 106394089
methyl 5-[[(1-ethylpyrrolidin-2-yl)methylamino]methyl]furan-3-carboxylate
CID 104585751

Frequently Asked Questions

What is the IUPAC name of methyl 5-[[(1-ethylcyclopentyl)methylamino]methyl]furan-3-carboxylate?
The IUPAC name of methyl 5-[[(1-ethylcyclopentyl)methylamino]methyl]furan-3-carboxylate (CID 104586495) is methyl 5-[[(1-ethylcyclopentyl)methylamino]methyl]furan-3-carboxylate.
What is the SMILES notation for methyl 5-[[(1-ethylcyclopentyl)methylamino]methyl]furan-3-carboxylate?
The canonical SMILES for methyl 5-[[(1-ethylcyclopentyl)methylamino]methyl]furan-3-carboxylate is CCC1(CNCc2cc(C(=O)OC)co2)CCCC1.
What is the InChIKey of methyl 5-[[(1-ethylcyclopentyl)methylamino]methyl]furan-3-carboxylate?
The InChIKey is HZMFGCHWBCVZGM-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H23NO3/c1-3-15(6-4-5-7-15)11-16-9-13-8-12(10-19-13)14(17)18-2/h8,10,16H,3-7,9,11H2,1-2H3.
What are the key properties of methyl 5-[[(1-ethylcyclopentyl)methylamino]methyl]furan-3-carboxylate?
methyl 5-[[(1-ethylcyclopentyl)methylamino]methyl]furan-3-carboxylate has a molecular weight of 265.35 g/mol, XLogP of 3.13, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 5-[[(1-ethylcyclopentyl)methylamino]methyl]furan-3-carboxylate is sourced from PubChem (CID 104586495), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).