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

C13H22N2O3 — CID 43425084

IUPACmethyl 3-[[2-(diethylamino)ethylamino]methyl]furan-2-carboxylate
SMILESCCN(CC)CCNCc1ccoc1C(=O)OC
InChIInChI=1S/C13H22N2O3/c1-4-15(5-2)8-7-14-10-11-6-9-18-12(11)13(16)17-3/h6,9,14H,4-5,7-8,10H2,1-3H3
InChIKeySNZLIVCQHGYEBD-UHFFFAOYSA-N
MW254.33 g/mol
LogP1.50
Rot. Bonds8

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

methyl 3-[[2-(diethylamino)ethylamino]methyl]furan-2-carboxylate (PubChem CID 43425084) has the molecular formula C13H22N2O3 and a molecular weight of 254.33 g/mol. Its IUPAC name is methyl 3-[[2-(diethylamino)ethylamino]methyl]furan-2-carboxylate.

Molecular Properties

Compound Namemethyl 3-[[2-(diethylamino)ethylamino]methyl]furan-2-carboxylate
PubChem CID43425084
Molecular FormulaC13H22N2O3
Molecular Weight254.33 g/mol
Exact Mass254.16
IUPAC Namemethyl 3-[[2-(diethylamino)ethylamino]methyl]furan-2-carboxylate
SMILESCCN(CC)CCNCc1ccoc1C(=O)OC
InChIInChI=1S/C13H22N2O3/c1-4-15(5-2)8-7-14-10-11-6-9-18-12(11)13(16)17-3/h6,9,14H,4-5,7-8,10H2,1-3H3
InChIKeySNZLIVCQHGYEBD-UHFFFAOYSA-N
XLogP1.50
TPSA54.71 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500254.33
LogP ≤ 51.50
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

methyl 3-[[2-(dimethylamino)ethylamino]methyl]furan-2-carboxylate
CID 43424817
methyl 3-[(2-ethylsulfonylethylamino)methyl]furan-2-carboxylate
CID 103921879
methyl 3-[[[2-[ethyl(methyl)amino]-2-oxoethyl]amino]methyl]furan-2-carboxylate
CID 104928237
4-[(2-methoxycarbonylfuran-3-yl)methylamino]butanoic acid
CID 60782689
methyl 3-[[(4-ethylphenyl)methylamino]methyl]furan-2-carboxylate
CID 103827308
methyl 3-[[2-(2-methylpropoxy)ethylamino]methyl]furan-2-carboxylate
CID 115904855
methyl 3-[(cyclopentylmethylamino)methyl]furan-2-carboxylate
CID 43775570
methyl 3-[[2-(1,2,4-oxadiazol-5-yl)ethylamino]methyl]furan-2-carboxylate
CID 106395132
methyl 3-[(2-prop-2-enylsulfanylethylamino)methyl]furan-2-carboxylate
CID 103922825
methyl 3-[[2-(4-methyl-1,2,4-triazol-3-yl)ethylamino]methyl]furan-2-carboxylate
CID 63332859
methyl 3-[[[1-(dimethylamino)cyclobutyl]methylamino]methyl]furan-2-carboxylate
CID 105415506
methyl 3-[[[3-(dimethylamino)-2,2-dimethylpropyl]amino]methyl]furan-2-carboxylate
CID 43234477

Frequently Asked Questions

What is the IUPAC name of methyl 3-[[2-(diethylamino)ethylamino]methyl]furan-2-carboxylate?
The IUPAC name of methyl 3-[[2-(diethylamino)ethylamino]methyl]furan-2-carboxylate (CID 43425084) is methyl 3-[[2-(diethylamino)ethylamino]methyl]furan-2-carboxylate.
What is the SMILES notation for methyl 3-[[2-(diethylamino)ethylamino]methyl]furan-2-carboxylate?
The canonical SMILES for methyl 3-[[2-(diethylamino)ethylamino]methyl]furan-2-carboxylate is CCN(CC)CCNCc1ccoc1C(=O)OC.
What is the InChIKey of methyl 3-[[2-(diethylamino)ethylamino]methyl]furan-2-carboxylate?
The InChIKey is SNZLIVCQHGYEBD-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H22N2O3/c1-4-15(5-2)8-7-14-10-11-6-9-18-12(11)13(16)17-3/h6,9,14H,4-5,7-8,10H2,1-3H3.
What are the key properties of methyl 3-[[2-(diethylamino)ethylamino]methyl]furan-2-carboxylate?
methyl 3-[[2-(diethylamino)ethylamino]methyl]furan-2-carboxylate has a molecular weight of 254.33 g/mol, XLogP of 1.50, 8 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 3-[[2-(diethylamino)ethylamino]methyl]furan-2-carboxylate is sourced from PubChem (CID 43425084), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).