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

C14H21NO3 — CID 103923509

IUPACmethyl 5-[[(1-propan-2-ylcyclopropyl)methylamino]methyl]furan-2-carboxylate
SMILESCOC(=O)c1ccc(CNCC2(C(C)C)CC2)o1
InChIInChI=1S/C14H21NO3/c1-10(2)14(6-7-14)9-15-8-11-4-5-12(18-11)13(16)17-3/h4-5,10,15H,6-9H2,1-3H3
InChIKeyNVUKNVACGLZBBH-UHFFFAOYSA-N
MW251.33 g/mol
LogP2.59
Rot. Bonds6

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

methyl 5-[[(1-propan-2-ylcyclopropyl)methylamino]methyl]furan-2-carboxylate (PubChem CID 103923509) 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-2-carboxylate.

Molecular Properties

Compound Namemethyl 5-[[(1-propan-2-ylcyclopropyl)methylamino]methyl]furan-2-carboxylate
PubChem CID103923509
Molecular FormulaC14H21NO3
Molecular Weight251.33 g/mol
Exact Mass251.15
IUPAC Namemethyl 5-[[(1-propan-2-ylcyclopropyl)methylamino]methyl]furan-2-carboxylate
SMILESCOC(=O)c1ccc(CNCC2(C(C)C)CC2)o1
InChIInChI=1S/C14H21NO3/c1-10(2)14(6-7-14)9-15-8-11-4-5-12(18-11)13(16)17-3/h4-5,10,15H,6-9H2,1-3H3
InChIKeyNVUKNVACGLZBBH-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-2-carboxylate with MolForge

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Related Compounds

methyl 5-[[(4-methyloxan-4-yl)methylamino]methyl]furan-2-carboxylate
CID 103923521
1-(5-ethylfuran-2-yl)-N-[(1-propan-2-ylcyclopropyl)methyl]methanamine
CID 115697602
methyl 5-[[[(2R)-2-hydroxypropyl]amino]methyl]furan-2-carboxylate
CID 103923855
methyl 5-[[(1-propan-2-ylcyclopropyl)methylamino]methyl]furan-3-carboxylate
CID 104586464
methyl 5-[(2-cyclopropylpropylamino)methyl]furan-2-carboxylate
CID 115905012
methyl 5-[(cyclobutylmethylamino)methyl]furan-2-carboxylate
CID 43775265
methyl 5-[[(1-hydroxy-3-methylcyclohexyl)methylamino]methyl]furan-2-carboxylate
CID 65117203
methyl 5-[[(2-oxo-2-pyrrolidin-1-ylethyl)amino]methyl]furan-2-carboxylate
CID 112684787
methyl 5-[(1,3-dihydroxypropan-2-ylamino)methyl]furan-2-carboxylate
CID 65314992
methyl 5-(methylaminomethyl)furan-2-carboxylate;hydrochloride
CID 86812264
methyl 5-[[3-[methyl(propan-2-yl)amino]propylamino]methyl]furan-2-carboxylate
CID 103920409
methyl 5-[[(2-methyl-3-pyrrolidin-1-ylpropyl)amino]methyl]furan-2-carboxylate
CID 62994593

Frequently Asked Questions

What is the IUPAC name of methyl 5-[[(1-propan-2-ylcyclopropyl)methylamino]methyl]furan-2-carboxylate?
The IUPAC name of methyl 5-[[(1-propan-2-ylcyclopropyl)methylamino]methyl]furan-2-carboxylate (CID 103923509) is methyl 5-[[(1-propan-2-ylcyclopropyl)methylamino]methyl]furan-2-carboxylate.
What is the SMILES notation for methyl 5-[[(1-propan-2-ylcyclopropyl)methylamino]methyl]furan-2-carboxylate?
The canonical SMILES for methyl 5-[[(1-propan-2-ylcyclopropyl)methylamino]methyl]furan-2-carboxylate is COC(=O)c1ccc(CNCC2(C(C)C)CC2)o1.
What is the InChIKey of methyl 5-[[(1-propan-2-ylcyclopropyl)methylamino]methyl]furan-2-carboxylate?
The InChIKey is NVUKNVACGLZBBH-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21NO3/c1-10(2)14(6-7-14)9-15-8-11-4-5-12(18-11)13(16)17-3/h4-5,10,15H,6-9H2,1-3H3.
What are the key properties of methyl 5-[[(1-propan-2-ylcyclopropyl)methylamino]methyl]furan-2-carboxylate?
methyl 5-[[(1-propan-2-ylcyclopropyl)methylamino]methyl]furan-2-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-2-carboxylate is sourced from PubChem (CID 103923509), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).