[5-(aminomethyl)furan-2-yl]-[(6R)-2,2,6-trimethylmorpholin-4-yl]methanone

C13H20N2O3 — CID 124517050

IUPAC[5-(aminomethyl)furan-2-yl]-[(6R)-2,2,6-trimethylmorpholin-4-yl]methanone
SMILESC[C@@H]1CN(C(=O)c2ccc(CN)o2)CC(C)(C)O1
InChIInChI=1S/C13H20N2O3/c1-9-7-15(8-13(2,3)18-9)12(16)11-5-4-10(6-14)17-11/h4-5,9H,6-8,14H2,1-3H3/t9-/m1/s1
InChIKeyCNYCSARHMCBPOH-SECBINFHSA-N
MW252.31 g/mol
LogP1.38
Rot. Bonds2

About [5-(aminomethyl)furan-2-yl]-[(6R)-2,2,6-trimethylmorpholin-4-yl]methanone

[5-(aminomethyl)furan-2-yl]-[(6R)-2,2,6-trimethylmorpholin-4-yl]methanone (PubChem CID 124517050) has the molecular formula C13H20N2O3 and a molecular weight of 252.31 g/mol. Its IUPAC name is [5-(aminomethyl)furan-2-yl]-[(6R)-2,2,6-trimethylmorpholin-4-yl]methanone.

Molecular Properties

Compound Name[5-(aminomethyl)furan-2-yl]-[(6R)-2,2,6-trimethylmorpholin-4-yl]methanone
PubChem CID124517050
Molecular FormulaC13H20N2O3
Molecular Weight252.31 g/mol
Exact Mass252.15
IUPAC Name[5-(aminomethyl)furan-2-yl]-[(6R)-2,2,6-trimethylmorpholin-4-yl]methanone
SMILESC[C@@H]1CN(C(=O)c2ccc(CN)o2)CC(C)(C)O1
InChIInChI=1S/C13H20N2O3/c1-9-7-15(8-13(2,3)18-9)12(16)11-5-4-10(6-14)17-11/h4-5,9H,6-8,14H2,1-3H3/t9-/m1/s1
InChIKeyCNYCSARHMCBPOH-SECBINFHSA-N
XLogP1.38
TPSA68.70 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500252.31
LogP ≤ 51.38
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze [5-(aminomethyl)furan-2-yl]-[(6R)-2,2,6-trimethylmorpholin-4-yl]methanone with MolForge

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Related Compounds

[4-(aminomethyl)phenyl]-[(6S)-2,2,6-trimethylmorpholin-4-yl]methanone
CID 129366969
[5-(aminomethyl)furan-2-yl]-[(2R,6R)-2-(4-fluorophenyl)-6-methylmorpholin-4-yl]methanone
CID 124694866
2-[1-[5-(aminomethyl)furan-2-carbonyl]azetidin-3-yl]propanoic acid
CID 116682263
(2-bromofuran-3-yl)-(2,2,6-trimethylmorpholin-4-yl)methanone
CID 106853840
(2-hydrazinylphenyl)-(2,2,6-trimethylmorpholin-4-yl)methanone
CID 62249835
4-[2-oxo-2-(2,2,6-trimethylmorpholin-4-yl)ethyl]benzenecarbothioamide
CID 63611846
[5-(aminomethyl)furan-2-yl]-(3,5-dimethylmorpholin-4-yl)methanone
CID 126777161
(5-bromothiophen-2-yl)-(2,2,6-trimethylmorpholin-4-yl)methanone
CID 48688438
thiophen-2-yl-(2,2,6-trimethylmorpholin-4-yl)methanone
CID 48688223
(5-bromofuran-2-yl)-[6-(bromomethyl)-2,2-dimethylmorpholin-4-yl]methanone
CID 114781615
(4-nitrophenyl)-(2,2,6-trimethylmorpholin-4-yl)methanone
CID 47432382
(5-amino-2-methylphenyl)-(2,2,6-trimethylmorpholin-4-yl)methanone;hydrochloride
CID 120625558

Frequently Asked Questions

What is the IUPAC name of [5-(aminomethyl)furan-2-yl]-[(6R)-2,2,6-trimethylmorpholin-4-yl]methanone?
The IUPAC name of [5-(aminomethyl)furan-2-yl]-[(6R)-2,2,6-trimethylmorpholin-4-yl]methanone (CID 124517050) is [5-(aminomethyl)furan-2-yl]-[(6R)-2,2,6-trimethylmorpholin-4-yl]methanone.
What is the SMILES notation for [5-(aminomethyl)furan-2-yl]-[(6R)-2,2,6-trimethylmorpholin-4-yl]methanone?
The canonical SMILES for [5-(aminomethyl)furan-2-yl]-[(6R)-2,2,6-trimethylmorpholin-4-yl]methanone is C[C@@H]1CN(C(=O)c2ccc(CN)o2)CC(C)(C)O1.
What is the InChIKey of [5-(aminomethyl)furan-2-yl]-[(6R)-2,2,6-trimethylmorpholin-4-yl]methanone?
The InChIKey is CNYCSARHMCBPOH-SECBINFHSA-N. The full InChI is InChI=1S/C13H20N2O3/c1-9-7-15(8-13(2,3)18-9)12(16)11-5-4-10(6-14)17-11/h4-5,9H,6-8,14H2,1-3H3/t9-/m1/s1.
What are the key properties of [5-(aminomethyl)furan-2-yl]-[(6R)-2,2,6-trimethylmorpholin-4-yl]methanone?
[5-(aminomethyl)furan-2-yl]-[(6R)-2,2,6-trimethylmorpholin-4-yl]methanone has a molecular weight of 252.31 g/mol, XLogP of 1.38, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [5-(aminomethyl)furan-2-yl]-[(6R)-2,2,6-trimethylmorpholin-4-yl]methanone is sourced from PubChem (CID 124517050), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).