4-(3-amino-1,1,1-trifluoropentan-2-yl)-N-methylmorpholine-3-carboxamide

C11H20F3N3O2 — CID 83107069

IUPAC4-(3-amino-1,1,1-trifluoropentan-2-yl)-N-methylmorpholine-3-carboxamide
SMILESCCC(N)C(N1CCOCC1C(=O)NC)C(F)(F)F
InChIInChI=1S/C11H20F3N3O2/c1-3-7(15)9(11(12,13)14)17-4-5-19-6-8(17)10(18)16-2/h7-9H,3-6,15H2,1-2H3,(H,16,18)
InChIKeyKXMSIUKEJOPPHI-UHFFFAOYSA-N
MW283.29 g/mol
LogP0.10
Rot. Bonds4

About 4-(3-amino-1,1,1-trifluoropentan-2-yl)-N-methylmorpholine-3-carboxamide

4-(3-amino-1,1,1-trifluoropentan-2-yl)-N-methylmorpholine-3-carboxamide (PubChem CID 83107069) has the molecular formula C11H20F3N3O2 and a molecular weight of 283.29 g/mol. Its IUPAC name is 4-(3-amino-1,1,1-trifluoropentan-2-yl)-N-methylmorpholine-3-carboxamide.

Molecular Properties

Compound Name4-(3-amino-1,1,1-trifluoropentan-2-yl)-N-methylmorpholine-3-carboxamide
PubChem CID83107069
Molecular FormulaC11H20F3N3O2
Molecular Weight283.29 g/mol
Exact Mass283.15
IUPAC Name4-(3-amino-1,1,1-trifluoropentan-2-yl)-N-methylmorpholine-3-carboxamide
SMILESCCC(N)C(N1CCOCC1C(=O)NC)C(F)(F)F
InChIInChI=1S/C11H20F3N3O2/c1-3-7(15)9(11(12,13)14)17-4-5-19-6-8(17)10(18)16-2/h7-9H,3-6,15H2,1-2H3,(H,16,18)
InChIKeyKXMSIUKEJOPPHI-UHFFFAOYSA-N
XLogP0.10
TPSA67.59 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.29
LogP ≤ 50.10
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

4-(1-aminopentan-3-yl)-N-methylmorpholine-3-carboxamide
CID 83106233
4-(4-amino-2,2-dimethylpentan-3-yl)-N-ethylmorpholine-3-carboxamide
CID 83106921
4-(1-hydrazinyl-1-oxopropan-2-yl)-N-methylmorpholine-3-carboxamide
CID 83105404
4-(4-amino-4-sulfanylidenebutan-2-yl)-N-methylmorpholine-3-carboxamide
CID 83099710
(3S)-4-ethyl-N-methylmorpholine-3-carboxamide
CID 99978843
4-(1-amino-1-oxobutan-2-yl)-N-ethylmorpholine-3-carboxamide
CID 83103788
2-[3-(ethylcarbamoyl)morpholin-4-yl]butanoic acid
CID 83099705
4-(1-aminobutan-2-yl)-N-propan-2-ylmorpholine-3-carboxamide
CID 83106097
4-[(2S)-2-amino-4-methylpentanoyl]-N-methylmorpholine-3-carboxamide
CID 83098645
4-butanoyl-N-methylmorpholine-3-carboxamide
CID 83104060
(2S)-2-[[3-(methylcarbamoyl)morpholine-4-carbonyl]amino]butanoic acid
CID 83103899
4-(1-aminopentan-3-yl)-N-ethylmorpholine-3-carboxamide
CID 83106656

Frequently Asked Questions

What is the IUPAC name of 4-(3-amino-1,1,1-trifluoropentan-2-yl)-N-methylmorpholine-3-carboxamide?
The IUPAC name of 4-(3-amino-1,1,1-trifluoropentan-2-yl)-N-methylmorpholine-3-carboxamide (CID 83107069) is 4-(3-amino-1,1,1-trifluoropentan-2-yl)-N-methylmorpholine-3-carboxamide.
What is the SMILES notation for 4-(3-amino-1,1,1-trifluoropentan-2-yl)-N-methylmorpholine-3-carboxamide?
The canonical SMILES for 4-(3-amino-1,1,1-trifluoropentan-2-yl)-N-methylmorpholine-3-carboxamide is CCC(N)C(N1CCOCC1C(=O)NC)C(F)(F)F.
What is the InChIKey of 4-(3-amino-1,1,1-trifluoropentan-2-yl)-N-methylmorpholine-3-carboxamide?
The InChIKey is KXMSIUKEJOPPHI-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H20F3N3O2/c1-3-7(15)9(11(12,13)14)17-4-5-19-6-8(17)10(18)16-2/h7-9H,3-6,15H2,1-2H3,(H,16,18).
What are the key properties of 4-(3-amino-1,1,1-trifluoropentan-2-yl)-N-methylmorpholine-3-carboxamide?
4-(3-amino-1,1,1-trifluoropentan-2-yl)-N-methylmorpholine-3-carboxamide has a molecular weight of 283.29 g/mol, XLogP of 0.10, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(3-amino-1,1,1-trifluoropentan-2-yl)-N-methylmorpholine-3-carboxamide is sourced from PubChem (CID 83107069), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).