methyl 3-[[2-(dimethylamino)ethylamino]methyl]furan-2-carboxylate

C11H18N2O3 — CID 43424817

IUPACmethyl 3-[[2-(dimethylamino)ethylamino]methyl]furan-2-carboxylate
SMILESCOC(=O)c1occc1CNCCN(C)C
InChIInChI=1S/C11H18N2O3/c1-13(2)6-5-12-8-9-4-7-16-10(9)11(14)15-3/h4,7,12H,5-6,8H2,1-3H3
InChIKeyGUUVULHNSZTDSF-UHFFFAOYSA-N
MW226.28 g/mol
LogP0.72
Rot. Bonds6

About methyl 3-[[2-(dimethylamino)ethylamino]methyl]furan-2-carboxylate

methyl 3-[[2-(dimethylamino)ethylamino]methyl]furan-2-carboxylate (PubChem CID 43424817) has the molecular formula C11H18N2O3 and a molecular weight of 226.28 g/mol. Its IUPAC name is methyl 3-[[2-(dimethylamino)ethylamino]methyl]furan-2-carboxylate.

Molecular Properties

Compound Namemethyl 3-[[2-(dimethylamino)ethylamino]methyl]furan-2-carboxylate
PubChem CID43424817
Molecular FormulaC11H18N2O3
Molecular Weight226.28 g/mol
Exact Mass226.13
IUPAC Namemethyl 3-[[2-(dimethylamino)ethylamino]methyl]furan-2-carboxylate
SMILESCOC(=O)c1occc1CNCCN(C)C
InChIInChI=1S/C11H18N2O3/c1-13(2)6-5-12-8-9-4-7-16-10(9)11(14)15-3/h4,7,12H,5-6,8H2,1-3H3
InChIKeyGUUVULHNSZTDSF-UHFFFAOYSA-N
XLogP0.72
TPSA54.71 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500226.28
LogP ≤ 50.72
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

Analyze methyl 3-[[2-(dimethylamino)ethylamino]methyl]furan-2-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 3-[[2-(diethylamino)ethylamino]methyl]furan-2-carboxylate
CID 43425084
4-[(2-methoxycarbonylfuran-3-yl)methylamino]butanoic acid
CID 60782689
methyl 3-[(2-ethylsulfonylethylamino)methyl]furan-2-carboxylate
CID 103921879
methyl 3-[[[3-(dimethylamino)-2,2-dimethylpropyl]amino]methyl]furan-2-carboxylate
CID 43234477
methyl 3-[[[2-[ethyl(methyl)amino]-2-oxoethyl]amino]methyl]furan-2-carboxylate
CID 104928237
methyl 3-[[[1-(dimethylamino)cyclobutyl]methylamino]methyl]furan-2-carboxylate
CID 105415506
methyl 3-[[2-(2-methylpropoxy)ethylamino]methyl]furan-2-carboxylate
CID 115904855
methyl 3-[(cyclopentylmethylamino)methyl]furan-2-carboxylate
CID 43775570
methyl 3-[[(4-ethylphenyl)methylamino]methyl]furan-2-carboxylate
CID 103827308
methyl 3-[[1-(dimethylamino)propan-2-ylamino]methyl]furan-2-carboxylate
CID 82945092
methyl 3-[[[1-(dimethylamino)cyclohexyl]methylamino]methyl]furan-2-carboxylate
CID 43425240
methyl 3-[[2-(1,2,4-oxadiazol-5-yl)ethylamino]methyl]furan-2-carboxylate
CID 106395132

Frequently Asked Questions

What is the IUPAC name of methyl 3-[[2-(dimethylamino)ethylamino]methyl]furan-2-carboxylate?
The IUPAC name of methyl 3-[[2-(dimethylamino)ethylamino]methyl]furan-2-carboxylate (CID 43424817) is methyl 3-[[2-(dimethylamino)ethylamino]methyl]furan-2-carboxylate.
What is the SMILES notation for methyl 3-[[2-(dimethylamino)ethylamino]methyl]furan-2-carboxylate?
The canonical SMILES for methyl 3-[[2-(dimethylamino)ethylamino]methyl]furan-2-carboxylate is COC(=O)c1occc1CNCCN(C)C.
What is the InChIKey of methyl 3-[[2-(dimethylamino)ethylamino]methyl]furan-2-carboxylate?
The InChIKey is GUUVULHNSZTDSF-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H18N2O3/c1-13(2)6-5-12-8-9-4-7-16-10(9)11(14)15-3/h4,7,12H,5-6,8H2,1-3H3.
What are the key properties of methyl 3-[[2-(dimethylamino)ethylamino]methyl]furan-2-carboxylate?
methyl 3-[[2-(dimethylamino)ethylamino]methyl]furan-2-carboxylate has a molecular weight of 226.28 g/mol, XLogP of 0.72, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 3-[[2-(dimethylamino)ethylamino]methyl]furan-2-carboxylate is sourced from PubChem (CID 43424817), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).