methyl 3-[[[1-(dimethylamino)cyclobutyl]methylamino]methyl]furan-2-carboxylate

C14H22N2O3 — CID 105415506

IUPACmethyl 3-[[[1-(dimethylamino)cyclobutyl]methylamino]methyl]furan-2-carboxylate
SMILESCOC(=O)c1occc1CNCC1(N(C)C)CCC1
InChIInChI=1S/C14H22N2O3/c1-16(2)14(6-4-7-14)10-15-9-11-5-8-19-12(11)13(17)18-3/h5,8,15H,4,6-7,9-10H2,1-3H3
InChIKeyXNGZGQJNKXHHIV-UHFFFAOYSA-N
MW266.34 g/mol
LogP1.64
Rot. Bonds6

About methyl 3-[[[1-(dimethylamino)cyclobutyl]methylamino]methyl]furan-2-carboxylate

methyl 3-[[[1-(dimethylamino)cyclobutyl]methylamino]methyl]furan-2-carboxylate (PubChem CID 105415506) has the molecular formula C14H22N2O3 and a molecular weight of 266.34 g/mol. Its IUPAC name is methyl 3-[[[1-(dimethylamino)cyclobutyl]methylamino]methyl]furan-2-carboxylate.

Molecular Properties

Compound Namemethyl 3-[[[1-(dimethylamino)cyclobutyl]methylamino]methyl]furan-2-carboxylate
PubChem CID105415506
Molecular FormulaC14H22N2O3
Molecular Weight266.34 g/mol
Exact Mass266.16
IUPAC Namemethyl 3-[[[1-(dimethylamino)cyclobutyl]methylamino]methyl]furan-2-carboxylate
SMILESCOC(=O)c1occc1CNCC1(N(C)C)CCC1
InChIInChI=1S/C14H22N2O3/c1-16(2)14(6-4-7-14)10-15-9-11-5-8-19-12(11)13(17)18-3/h5,8,15H,4,6-7,9-10H2,1-3H3
InChIKeyXNGZGQJNKXHHIV-UHFFFAOYSA-N
XLogP1.64
TPSA54.71 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.34
LogP ≤ 51.64
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of methyl 3-[[[1-(dimethylamino)cyclobutyl]methylamino]methyl]furan-2-carboxylate?
The IUPAC name of methyl 3-[[[1-(dimethylamino)cyclobutyl]methylamino]methyl]furan-2-carboxylate (CID 105415506) is methyl 3-[[[1-(dimethylamino)cyclobutyl]methylamino]methyl]furan-2-carboxylate.
What is the SMILES notation for methyl 3-[[[1-(dimethylamino)cyclobutyl]methylamino]methyl]furan-2-carboxylate?
The canonical SMILES for methyl 3-[[[1-(dimethylamino)cyclobutyl]methylamino]methyl]furan-2-carboxylate is COC(=O)c1occc1CNCC1(N(C)C)CCC1.
What is the InChIKey of methyl 3-[[[1-(dimethylamino)cyclobutyl]methylamino]methyl]furan-2-carboxylate?
The InChIKey is XNGZGQJNKXHHIV-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H22N2O3/c1-16(2)14(6-4-7-14)10-15-9-11-5-8-19-12(11)13(17)18-3/h5,8,15H,4,6-7,9-10H2,1-3H3.
What are the key properties of methyl 3-[[[1-(dimethylamino)cyclobutyl]methylamino]methyl]furan-2-carboxylate?
methyl 3-[[[1-(dimethylamino)cyclobutyl]methylamino]methyl]furan-2-carboxylate has a molecular weight of 266.34 g/mol, XLogP of 1.64, 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)cyclobutyl]methylamino]methyl]furan-2-carboxylate is sourced from PubChem (CID 105415506), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).