methyl 5-[[(1-ethylpyrrolidin-2-yl)methylamino]methyl]furan-3-carboxylate

C14H22N2O3 — CID 104585751

IUPACmethyl 5-[[(1-ethylpyrrolidin-2-yl)methylamino]methyl]furan-3-carboxylate
SMILESCCN1CCCC1CNCc1cc(C(=O)OC)co1
InChIInChI=1S/C14H22N2O3/c1-3-16-6-4-5-12(16)8-15-9-13-7-11(10-19-13)14(17)18-2/h7,10,12,15H,3-6,8-9H2,1-2H3
InChIKeyWXKVVSPDEXAYTP-UHFFFAOYSA-N
MW266.34 g/mol
LogP1.64
Rot. Bonds6

About methyl 5-[[(1-ethylpyrrolidin-2-yl)methylamino]methyl]furan-3-carboxylate

methyl 5-[[(1-ethylpyrrolidin-2-yl)methylamino]methyl]furan-3-carboxylate (PubChem CID 104585751) has the molecular formula C14H22N2O3 and a molecular weight of 266.34 g/mol. Its IUPAC name is methyl 5-[[(1-ethylpyrrolidin-2-yl)methylamino]methyl]furan-3-carboxylate.

Molecular Properties

Compound Namemethyl 5-[[(1-ethylpyrrolidin-2-yl)methylamino]methyl]furan-3-carboxylate
PubChem CID104585751
Molecular FormulaC14H22N2O3
Molecular Weight266.34 g/mol
Exact Mass266.16
IUPAC Namemethyl 5-[[(1-ethylpyrrolidin-2-yl)methylamino]methyl]furan-3-carboxylate
SMILESCCN1CCCC1CNCc1cc(C(=O)OC)co1
InChIInChI=1S/C14H22N2O3/c1-3-16-6-4-5-12(16)8-15-9-13-7-11(10-19-13)14(17)18-2/h7,10,12,15H,3-6,8-9H2,1-2H3
InChIKeyWXKVVSPDEXAYTP-UHFFFAOYSA-N
XLogP1.64
TPSA54.71 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.34
LogP ≤ 51.64
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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

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Related Compounds

methyl 5-[[(2-hydroxycyclohexyl)methylamino]methyl]furan-3-carboxylate
CID 104586370
methyl 5-[(2-cyclopropylethylamino)methyl]furan-3-carboxylate
CID 104586453
methyl 5-[[(1-propylpiperidin-4-yl)amino]methyl]furan-3-carboxylate
CID 104586644
N-benzyl-1-(1-ethylpyrrolidin-2-yl)methanamine;oxalic acid
CID 17053062
methyl 5-[[(1-methylcyclobutyl)methylamino]methyl]furan-3-carboxylate
CID 104586478
methyl 2-[(1-ethylpyrrolidin-2-yl)methylamino]acetate
CID 43180071
1-(1-ethylpiperidin-2-yl)-N-(furan-2-ylmethyl)methanamine
CID 115621753
1-(1-ethylpyrrolidin-2-yl)-N-[(5-nitrofuran-2-yl)methyl]methanamine
CID 43764769
methyl 5-[[[3-(cyclopropylamino)-3-oxopropyl]amino]methyl]furan-3-carboxylate
CID 104586101
N-[[5-(3-chloro-4-methoxyphenyl)furan-2-yl]methyl]-1-(1-ethylpyrrolidin-2-yl)methanamine
CID 17215876
methyl 5-ethylfuran-3-carboxylate
CID 23661323
methyl 5-[[(1-propan-2-ylpiperidin-4-yl)amino]methyl]furan-3-carboxylate
CID 104585884

Frequently Asked Questions

What is the IUPAC name of methyl 5-[[(1-ethylpyrrolidin-2-yl)methylamino]methyl]furan-3-carboxylate?
The IUPAC name of methyl 5-[[(1-ethylpyrrolidin-2-yl)methylamino]methyl]furan-3-carboxylate (CID 104585751) is methyl 5-[[(1-ethylpyrrolidin-2-yl)methylamino]methyl]furan-3-carboxylate.
What is the SMILES notation for methyl 5-[[(1-ethylpyrrolidin-2-yl)methylamino]methyl]furan-3-carboxylate?
The canonical SMILES for methyl 5-[[(1-ethylpyrrolidin-2-yl)methylamino]methyl]furan-3-carboxylate is CCN1CCCC1CNCc1cc(C(=O)OC)co1.
What is the InChIKey of methyl 5-[[(1-ethylpyrrolidin-2-yl)methylamino]methyl]furan-3-carboxylate?
The InChIKey is WXKVVSPDEXAYTP-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H22N2O3/c1-3-16-6-4-5-12(16)8-15-9-13-7-11(10-19-13)14(17)18-2/h7,10,12,15H,3-6,8-9H2,1-2H3.
What are the key properties of methyl 5-[[(1-ethylpyrrolidin-2-yl)methylamino]methyl]furan-3-carboxylate?
methyl 5-[[(1-ethylpyrrolidin-2-yl)methylamino]methyl]furan-3-carboxylate has a molecular weight of 266.34 g/mol, XLogP of 1.64, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 5-[[(1-ethylpyrrolidin-2-yl)methylamino]methyl]furan-3-carboxylate is sourced from PubChem (CID 104585751), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).