methyl 5-[[(1-propan-2-ylcyclopropyl)methylamino]methyl]furan-3-carboxylate

C14H21NO3 — CID 104586464

IUPACmethyl 5-[[(1-propan-2-ylcyclopropyl)methylamino]methyl]furan-3-carboxylate
SMILESCOC(=O)c1coc(CNCC2(C(C)C)CC2)c1
InChIInChI=1S/C14H21NO3/c1-10(2)14(4-5-14)9-15-7-12-6-11(8-18-12)13(16)17-3/h6,8,10,15H,4-5,7,9H2,1-3H3
InChIKeyONAUSZSSBWWCRJ-UHFFFAOYSA-N
MW251.33 g/mol
LogP2.59
Rot. Bonds6

About methyl 5-[[(1-propan-2-ylcyclopropyl)methylamino]methyl]furan-3-carboxylate

methyl 5-[[(1-propan-2-ylcyclopropyl)methylamino]methyl]furan-3-carboxylate (PubChem CID 104586464) has the molecular formula C14H21NO3 and a molecular weight of 251.33 g/mol. Its IUPAC name is methyl 5-[[(1-propan-2-ylcyclopropyl)methylamino]methyl]furan-3-carboxylate.

Molecular Properties

Compound Namemethyl 5-[[(1-propan-2-ylcyclopropyl)methylamino]methyl]furan-3-carboxylate
PubChem CID104586464
Molecular FormulaC14H21NO3
Molecular Weight251.33 g/mol
Exact Mass251.15
IUPAC Namemethyl 5-[[(1-propan-2-ylcyclopropyl)methylamino]methyl]furan-3-carboxylate
SMILESCOC(=O)c1coc(CNCC2(C(C)C)CC2)c1
InChIInChI=1S/C14H21NO3/c1-10(2)14(4-5-14)9-15-7-12-6-11(8-18-12)13(16)17-3/h6,8,10,15H,4-5,7,9H2,1-3H3
InChIKeyONAUSZSSBWWCRJ-UHFFFAOYSA-N
XLogP2.59
TPSA51.47 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500251.33
LogP ≤ 52.59
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze methyl 5-[[(1-propan-2-ylcyclopropyl)methylamino]methyl]furan-3-carboxylate with MolForge

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Related Compounds

methyl 5-[[(1-methylcyclobutyl)methylamino]methyl]furan-3-carboxylate
CID 104586478
methyl 5-[[(1-ethylcyclopentyl)methylamino]methyl]furan-3-carboxylate
CID 104586495
methyl 5-[[(1-propan-2-ylcyclopropyl)methylamino]methyl]furan-2-carboxylate
CID 103923509
methyl 5-[[(2-hydroxy-4-methylpentyl)amino]methyl]furan-3-carboxylate
CID 104586138
methyl 5-[[[3-oxo-3-(propan-2-ylamino)propyl]amino]methyl]furan-3-carboxylate
CID 104585949
methyl 5-[(2-cyclopropylethylamino)methyl]furan-3-carboxylate
CID 104586453
methyl 5-[[(1-amino-1-oxopropan-2-yl)amino]methyl]furan-3-carboxylate
CID 104586651
methyl 5-[[2-(2-hydroxyethoxy)ethylamino]methyl]furan-3-carboxylate
CID 104585806
methyl 5-[(2-cyanoethylamino)methyl]furan-3-carboxylate
CID 104608135
methyl 5-[[[3-(dimethylamino)-3-oxopropyl]amino]methyl]furan-3-carboxylate
CID 104586143
methyl 5-[[(2-hydroxy-4,4-dimethylpentyl)amino]methyl]furan-3-carboxylate
CID 104586323
methyl 5-ethylfuran-3-carboxylate
CID 23661323

Frequently Asked Questions

What is the IUPAC name of methyl 5-[[(1-propan-2-ylcyclopropyl)methylamino]methyl]furan-3-carboxylate?
The IUPAC name of methyl 5-[[(1-propan-2-ylcyclopropyl)methylamino]methyl]furan-3-carboxylate (CID 104586464) is methyl 5-[[(1-propan-2-ylcyclopropyl)methylamino]methyl]furan-3-carboxylate.
What is the SMILES notation for methyl 5-[[(1-propan-2-ylcyclopropyl)methylamino]methyl]furan-3-carboxylate?
The canonical SMILES for methyl 5-[[(1-propan-2-ylcyclopropyl)methylamino]methyl]furan-3-carboxylate is COC(=O)c1coc(CNCC2(C(C)C)CC2)c1.
What is the InChIKey of methyl 5-[[(1-propan-2-ylcyclopropyl)methylamino]methyl]furan-3-carboxylate?
The InChIKey is ONAUSZSSBWWCRJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21NO3/c1-10(2)14(4-5-14)9-15-7-12-6-11(8-18-12)13(16)17-3/h6,8,10,15H,4-5,7,9H2,1-3H3.
What are the key properties of methyl 5-[[(1-propan-2-ylcyclopropyl)methylamino]methyl]furan-3-carboxylate?
methyl 5-[[(1-propan-2-ylcyclopropyl)methylamino]methyl]furan-3-carboxylate has a molecular weight of 251.33 g/mol, XLogP of 2.59, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 5-[[(1-propan-2-ylcyclopropyl)methylamino]methyl]furan-3-carboxylate is sourced from PubChem (CID 104586464), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).