methyl 3-[[[3-(dimethylamino)-2,2-dimethylpropyl]amino]methyl]furan-2-carboxylate

C14H24N2O3 — CID 43234477

IUPACmethyl 3-[[[3-(dimethylamino)-2,2-dimethylpropyl]amino]methyl]furan-2-carboxylate
SMILESCOC(=O)c1occc1CNCC(C)(C)CN(C)C
InChIInChI=1S/C14H24N2O3/c1-14(2,10-16(3)4)9-15-8-11-6-7-19-12(11)13(17)18-5/h6-7,15H,8-10H2,1-5H3
InChIKeyYFZDPIKTYKQBAG-UHFFFAOYSA-N
MW268.36 g/mol
LogP1.74
Rot. Bonds7

About methyl 3-[[[3-(dimethylamino)-2,2-dimethylpropyl]amino]methyl]furan-2-carboxylate

methyl 3-[[[3-(dimethylamino)-2,2-dimethylpropyl]amino]methyl]furan-2-carboxylate (PubChem CID 43234477) has the molecular formula C14H24N2O3 and a molecular weight of 268.36 g/mol. Its IUPAC name is methyl 3-[[[3-(dimethylamino)-2,2-dimethylpropyl]amino]methyl]furan-2-carboxylate.

Molecular Properties

Compound Namemethyl 3-[[[3-(dimethylamino)-2,2-dimethylpropyl]amino]methyl]furan-2-carboxylate
PubChem CID43234477
Molecular FormulaC14H24N2O3
Molecular Weight268.36 g/mol
Exact Mass268.18
IUPAC Namemethyl 3-[[[3-(dimethylamino)-2,2-dimethylpropyl]amino]methyl]furan-2-carboxylate
SMILESCOC(=O)c1occc1CNCC(C)(C)CN(C)C
InChIInChI=1S/C14H24N2O3/c1-14(2,10-16(3)4)9-15-8-11-6-7-19-12(11)13(17)18-5/h6-7,15H,8-10H2,1-5H3
InChIKeyYFZDPIKTYKQBAG-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-[[[3-(dimethylamino)-2,2-dimethylpropyl]amino]methyl]furan-2-carboxylate with MolForge

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Related Compounds

methyl 3-[[2-(dimethylamino)ethylamino]methyl]furan-2-carboxylate
CID 43424817
methyl 3-[[[2-(methanesulfonamido)-2-methylpropyl]amino]methyl]furan-2-carboxylate
CID 63858594
methyl 3-[(2,2,3,3-tetrafluoropropylamino)methyl]furan-2-carboxylate
CID 103529404
methyl 3-[[(2-ethyl-2-methylsulfanylbutyl)amino]methyl]furan-2-carboxylate
CID 103923443
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-[[(3-hydroxy-2,3-dimethylbutan-2-yl)amino]methyl]furan-2-carboxylate
CID 113350256
methyl 3-[(cyclopentylmethylamino)methyl]furan-2-carboxylate
CID 43775570
methyl 3-[[(4-ethylphenyl)methylamino]methyl]furan-2-carboxylate
CID 103827308
methyl 3-[[2-(diethylamino)ethylamino]methyl]furan-2-carboxylate
CID 43425084
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

Frequently Asked Questions

What is the IUPAC name of methyl 3-[[[3-(dimethylamino)-2,2-dimethylpropyl]amino]methyl]furan-2-carboxylate?
The IUPAC name of methyl 3-[[[3-(dimethylamino)-2,2-dimethylpropyl]amino]methyl]furan-2-carboxylate (CID 43234477) is methyl 3-[[[3-(dimethylamino)-2,2-dimethylpropyl]amino]methyl]furan-2-carboxylate.
What is the SMILES notation for methyl 3-[[[3-(dimethylamino)-2,2-dimethylpropyl]amino]methyl]furan-2-carboxylate?
The canonical SMILES for methyl 3-[[[3-(dimethylamino)-2,2-dimethylpropyl]amino]methyl]furan-2-carboxylate is COC(=O)c1occc1CNCC(C)(C)CN(C)C.
What is the InChIKey of methyl 3-[[[3-(dimethylamino)-2,2-dimethylpropyl]amino]methyl]furan-2-carboxylate?
The InChIKey is YFZDPIKTYKQBAG-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H24N2O3/c1-14(2,10-16(3)4)9-15-8-11-6-7-19-12(11)13(17)18-5/h6-7,15H,8-10H2,1-5H3.
What are the key properties of methyl 3-[[[3-(dimethylamino)-2,2-dimethylpropyl]amino]methyl]furan-2-carboxylate?
methyl 3-[[[3-(dimethylamino)-2,2-dimethylpropyl]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-[[[3-(dimethylamino)-2,2-dimethylpropyl]amino]methyl]furan-2-carboxylate is sourced from PubChem (CID 43234477), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).