methyl 3-[[[1-(dimethylamino)-3-methylbutan-2-yl]amino]methyl]furan-2-carboxylate

C14H24N2O3 — CID 61476816

IUPACmethyl 3-[[[1-(dimethylamino)-3-methylbutan-2-yl]amino]methyl]furan-2-carboxylate
SMILESCOC(=O)c1occc1CNC(CN(C)C)C(C)C
InChIInChI=1S/C14H24N2O3/c1-10(2)12(9-16(3)4)15-8-11-6-7-19-13(11)14(17)18-5/h6-7,10,12,15H,8-9H2,1-5H3
InChIKeyLEHASRXAOMNAOG-UHFFFAOYSA-N
MW268.36 g/mol
LogP1.74
Rot. Bonds7

About methyl 3-[[[1-(dimethylamino)-3-methylbutan-2-yl]amino]methyl]furan-2-carboxylate

methyl 3-[[[1-(dimethylamino)-3-methylbutan-2-yl]amino]methyl]furan-2-carboxylate (PubChem CID 61476816) has the molecular formula C14H24N2O3 and a molecular weight of 268.36 g/mol. Its IUPAC name is methyl 3-[[[1-(dimethylamino)-3-methylbutan-2-yl]amino]methyl]furan-2-carboxylate.

Molecular Properties

Compound Namemethyl 3-[[[1-(dimethylamino)-3-methylbutan-2-yl]amino]methyl]furan-2-carboxylate
PubChem CID61476816
Molecular FormulaC14H24N2O3
Molecular Weight268.36 g/mol
Exact Mass268.18
IUPAC Namemethyl 3-[[[1-(dimethylamino)-3-methylbutan-2-yl]amino]methyl]furan-2-carboxylate
SMILESCOC(=O)c1occc1CNC(CN(C)C)C(C)C
InChIInChI=1S/C14H24N2O3/c1-10(2)12(9-16(3)4)15-8-11-6-7-19-13(11)14(17)18-5/h6-7,10,12,15H,8-9H2,1-5H3
InChIKeyLEHASRXAOMNAOG-UHFFFAOYSA-N
XLogP1.74
TPSA54.71 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500268.36
LogP ≤ 51.74
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze methyl 3-[[[1-(dimethylamino)-3-methylbutan-2-yl]amino]methyl]furan-2-carboxylate with MolForge

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Related Compounds

methyl 3-[[1-(dimethylamino)propan-2-ylamino]methyl]furan-2-carboxylate
CID 82945092
methyl 3-[[[(2R)-4-hydroxybutan-2-yl]amino]methyl]furan-2-carboxylate
CID 103923910
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-methyl-1-thiophen-2-ylpropyl)amino]methyl]furan-2-carboxylate
CID 43234822
methyl 3-[(4,4,4-trifluorobutan-2-ylamino)methyl]furan-2-carboxylate
CID 113472103
methyl 3-[[[2-oxo-2-(propan-2-ylamino)ethyl]amino]methyl]furan-2-carboxylate
CID 43777897
methyl 3-[[[(1S)-1-(4-methoxyphenyl)ethyl]amino]methyl]furan-2-carboxylate
CID 81367682
methyl 3-[[[(1S)-2-hydroxy-1-phenylethyl]amino]methyl]furan-2-carboxylate
CID 103922966
methyl 3-[[(4-hydroxy-1-methoxybutan-2-yl)amino]methyl]furan-2-carboxylate
CID 103923151

Frequently Asked Questions

What is the IUPAC name of methyl 3-[[[1-(dimethylamino)-3-methylbutan-2-yl]amino]methyl]furan-2-carboxylate?
The IUPAC name of methyl 3-[[[1-(dimethylamino)-3-methylbutan-2-yl]amino]methyl]furan-2-carboxylate (CID 61476816) is methyl 3-[[[1-(dimethylamino)-3-methylbutan-2-yl]amino]methyl]furan-2-carboxylate.
What is the SMILES notation for methyl 3-[[[1-(dimethylamino)-3-methylbutan-2-yl]amino]methyl]furan-2-carboxylate?
The canonical SMILES for methyl 3-[[[1-(dimethylamino)-3-methylbutan-2-yl]amino]methyl]furan-2-carboxylate is COC(=O)c1occc1CNC(CN(C)C)C(C)C.
What is the InChIKey of methyl 3-[[[1-(dimethylamino)-3-methylbutan-2-yl]amino]methyl]furan-2-carboxylate?
The InChIKey is LEHASRXAOMNAOG-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H24N2O3/c1-10(2)12(9-16(3)4)15-8-11-6-7-19-13(11)14(17)18-5/h6-7,10,12,15H,8-9H2,1-5H3.
What are the key properties of methyl 3-[[[1-(dimethylamino)-3-methylbutan-2-yl]amino]methyl]furan-2-carboxylate?
methyl 3-[[[1-(dimethylamino)-3-methylbutan-2-yl]amino]methyl]furan-2-carboxylate has a molecular weight of 268.36 g/mol, XLogP of 1.74, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 3-[[[1-(dimethylamino)-3-methylbutan-2-yl]amino]methyl]furan-2-carboxylate is sourced from PubChem (CID 61476816), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).