methyl 3-[[1-(dimethylamino)propan-2-ylamino]methyl]furan-2-carboxylate

C12H20N2O3 — CID 82945092

IUPACmethyl 3-[[1-(dimethylamino)propan-2-ylamino]methyl]furan-2-carboxylate
SMILESCOC(=O)c1occc1CNC(C)CN(C)C
InChIInChI=1S/C12H20N2O3/c1-9(8-14(2)3)13-7-10-5-6-17-11(10)12(15)16-4/h5-6,9,13H,7-8H2,1-4H3
InChIKeySNYMJRJREGVKQI-UHFFFAOYSA-N
MW240.30 g/mol
LogP1.11
Rot. Bonds6

About methyl 3-[[1-(dimethylamino)propan-2-ylamino]methyl]furan-2-carboxylate

methyl 3-[[1-(dimethylamino)propan-2-ylamino]methyl]furan-2-carboxylate (PubChem CID 82945092) has the molecular formula C12H20N2O3 and a molecular weight of 240.30 g/mol. Its IUPAC name is methyl 3-[[1-(dimethylamino)propan-2-ylamino]methyl]furan-2-carboxylate.

Molecular Properties

Compound Namemethyl 3-[[1-(dimethylamino)propan-2-ylamino]methyl]furan-2-carboxylate
PubChem CID82945092
Molecular FormulaC12H20N2O3
Molecular Weight240.30 g/mol
Exact Mass240.15
IUPAC Namemethyl 3-[[1-(dimethylamino)propan-2-ylamino]methyl]furan-2-carboxylate
SMILESCOC(=O)c1occc1CNC(C)CN(C)C
InChIInChI=1S/C12H20N2O3/c1-9(8-14(2)3)13-7-10-5-6-17-11(10)12(15)16-4/h5-6,9,13H,7-8H2,1-4H3
InChIKeySNYMJRJREGVKQI-UHFFFAOYSA-N
XLogP1.11
TPSA54.71 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500240.30
LogP ≤ 51.11
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

methyl 3-[[[1-(dimethylamino)-3-methylbutan-2-yl]amino]methyl]furan-2-carboxylate
CID 61476816
methyl 3-[[[(2R)-4-hydroxybutan-2-yl]amino]methyl]furan-2-carboxylate
CID 103923910
methyl 3-[(4,4,4-trifluorobutan-2-ylamino)methyl]furan-2-carboxylate
CID 113472103
methyl 3-[(1,3-dihydroxypropan-2-ylamino)methyl]furan-2-carboxylate
CID 65315678
methyl 3-[(1-cyclopropylethylamino)methyl]furan-2-carboxylate
CID 43776577
methyl 3-[[2-(dimethylamino)ethylamino]methyl]furan-2-carboxylate
CID 43424817
methyl 3-[[[(1R)-1-(furan-2-yl)ethyl]amino]methyl]furan-2-carboxylate
CID 81402967
methyl 3-[[[2-oxo-2-(propan-2-ylamino)ethyl]amino]methyl]furan-2-carboxylate
CID 43777897
2-N-[(2-chlorofuran-3-yl)methyl]-1-N,1-N-dimethylpropane-1,2-diamine
CID 106684718
methyl 3-[[[(1S)-2-hydroxy-1-phenylethyl]amino]methyl]furan-2-carboxylate
CID 103922966
methyl 3-[[[(1S)-1-(4-methoxyphenyl)ethyl]amino]methyl]furan-2-carboxylate
CID 81367682
methyl 3-[[(2-methyl-1-thiophen-2-ylpropyl)amino]methyl]furan-2-carboxylate
CID 43234822

Frequently Asked Questions

What is the IUPAC name of methyl 3-[[1-(dimethylamino)propan-2-ylamino]methyl]furan-2-carboxylate?
The IUPAC name of methyl 3-[[1-(dimethylamino)propan-2-ylamino]methyl]furan-2-carboxylate (CID 82945092) is methyl 3-[[1-(dimethylamino)propan-2-ylamino]methyl]furan-2-carboxylate.
What is the SMILES notation for methyl 3-[[1-(dimethylamino)propan-2-ylamino]methyl]furan-2-carboxylate?
The canonical SMILES for methyl 3-[[1-(dimethylamino)propan-2-ylamino]methyl]furan-2-carboxylate is COC(=O)c1occc1CNC(C)CN(C)C.
What is the InChIKey of methyl 3-[[1-(dimethylamino)propan-2-ylamino]methyl]furan-2-carboxylate?
The InChIKey is SNYMJRJREGVKQI-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H20N2O3/c1-9(8-14(2)3)13-7-10-5-6-17-11(10)12(15)16-4/h5-6,9,13H,7-8H2,1-4H3.
What are the key properties of methyl 3-[[1-(dimethylamino)propan-2-ylamino]methyl]furan-2-carboxylate?
methyl 3-[[1-(dimethylamino)propan-2-ylamino]methyl]furan-2-carboxylate has a molecular weight of 240.30 g/mol, XLogP of 1.11, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 3-[[1-(dimethylamino)propan-2-ylamino]methyl]furan-2-carboxylate is sourced from PubChem (CID 82945092), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).