1-(5-methylfuran-2-yl)-1-(2,2,6,6-tetramethylmorpholin-4-yl)butan-2-amine

C17H30N2O2 — CID 102742955

IUPAC1-(5-methylfuran-2-yl)-1-(2,2,6,6-tetramethylmorpholin-4-yl)butan-2-amine
SMILESCCC(N)C(c1ccc(C)o1)N1CC(C)(C)OC(C)(C)C1
InChIInChI=1S/C17H30N2O2/c1-7-13(18)15(14-9-8-12(2)20-14)19-10-16(3,4)21-17(5,6)11-19/h8-9,13,15H,7,10-11,18H2,1-6H3
InChIKeyQDQDLMMLHKDWBI-UHFFFAOYSA-N
MW294.44 g/mol
LogP3.26
Rot. Bonds4

About 1-(5-methylfuran-2-yl)-1-(2,2,6,6-tetramethylmorpholin-4-yl)butan-2-amine

1-(5-methylfuran-2-yl)-1-(2,2,6,6-tetramethylmorpholin-4-yl)butan-2-amine (PubChem CID 102742955) has the molecular formula C17H30N2O2 and a molecular weight of 294.44 g/mol. Its IUPAC name is 1-(5-methylfuran-2-yl)-1-(2,2,6,6-tetramethylmorpholin-4-yl)butan-2-amine.

Molecular Properties

Compound Name1-(5-methylfuran-2-yl)-1-(2,2,6,6-tetramethylmorpholin-4-yl)butan-2-amine
PubChem CID102742955
Molecular FormulaC17H30N2O2
Molecular Weight294.44 g/mol
Exact Mass294.23
IUPAC Name1-(5-methylfuran-2-yl)-1-(2,2,6,6-tetramethylmorpholin-4-yl)butan-2-amine
SMILESCCC(N)C(c1ccc(C)o1)N1CC(C)(C)OC(C)(C)C1
InChIInChI=1S/C17H30N2O2/c1-7-13(18)15(14-9-8-12(2)20-14)19-10-16(3,4)21-17(5,6)11-19/h8-9,13,15H,7,10-11,18H2,1-6H3
InChIKeyQDQDLMMLHKDWBI-UHFFFAOYSA-N
XLogP3.26
TPSA51.63 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500294.44
LogP ≤ 53.26
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-(5-methylfuran-2-yl)-2-(2,2,6,6-tetramethylmorpholin-4-yl)ethanamine
CID 102742936
2-[1-[2-amino-1-(5-methylfuran-2-yl)butyl]pyrrolidin-3-yl]ethanol
CID 114797027
2-[2-amino-1-(5-methylfuran-2-yl)butyl]-1,3,4,7,8,8a-hexahydropyrrolo[1,2-a]pyrazin-6-one
CID 82855504
1-(1,3,4,6,7,8,9,9a-octahydropyrido[1,2-a]pyrazin-2-yl)-1-(5-methylfuran-2-yl)butan-2-amine
CID 79916470
1-(4,4-dimethylpiperidin-1-yl)-1-(5-methylfuran-2-yl)propan-2-amine
CID 62937540
1-(4,4-diethylpiperidin-1-yl)-1-(5-methylfuran-2-yl)propan-2-amine
CID 63157212
1-(5-methylfuran-2-yl)-1-(2-propylpiperidin-1-yl)butan-2-amine
CID 83053424
1-(5-methylfuran-2-yl)propan-1-ol
CID 14570731
1-(5-methylthiophen-2-yl)-1-(2,2,6,6-tetramethylmorpholin-4-yl)propan-2-amine
CID 102742972
ethane;(1R)-1-(5-methylfuran-2-yl)propan-1-amine
CID 142856729
1-(3-methylthiophen-2-yl)-1-(2,2,6,6-tetramethylmorpholin-4-yl)propan-2-amine
CID 102743026
1-(2,2,6,6-tetramethylmorpholin-4-yl)-1-thiophen-2-ylpropan-2-amine
CID 102743025

Frequently Asked Questions

What is the IUPAC name of 1-(5-methylfuran-2-yl)-1-(2,2,6,6-tetramethylmorpholin-4-yl)butan-2-amine?
The IUPAC name of 1-(5-methylfuran-2-yl)-1-(2,2,6,6-tetramethylmorpholin-4-yl)butan-2-amine (CID 102742955) is 1-(5-methylfuran-2-yl)-1-(2,2,6,6-tetramethylmorpholin-4-yl)butan-2-amine.
What is the SMILES notation for 1-(5-methylfuran-2-yl)-1-(2,2,6,6-tetramethylmorpholin-4-yl)butan-2-amine?
The canonical SMILES for 1-(5-methylfuran-2-yl)-1-(2,2,6,6-tetramethylmorpholin-4-yl)butan-2-amine is CCC(N)C(c1ccc(C)o1)N1CC(C)(C)OC(C)(C)C1.
What is the InChIKey of 1-(5-methylfuran-2-yl)-1-(2,2,6,6-tetramethylmorpholin-4-yl)butan-2-amine?
The InChIKey is QDQDLMMLHKDWBI-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H30N2O2/c1-7-13(18)15(14-9-8-12(2)20-14)19-10-16(3,4)21-17(5,6)11-19/h8-9,13,15H,7,10-11,18H2,1-6H3.
What are the key properties of 1-(5-methylfuran-2-yl)-1-(2,2,6,6-tetramethylmorpholin-4-yl)butan-2-amine?
1-(5-methylfuran-2-yl)-1-(2,2,6,6-tetramethylmorpholin-4-yl)butan-2-amine has a molecular weight of 294.44 g/mol, XLogP of 3.26, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(5-methylfuran-2-yl)-1-(2,2,6,6-tetramethylmorpholin-4-yl)butan-2-amine is sourced from PubChem (CID 102742955), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).