2-[[(2S,6R)-2,6-dimethylmorpholin-4-yl]methyl]-3,3,3-trifluoropropanimidamide

C10H18F3N3O — CID 103370837

IUPAC2-[[(2S,6R)-2,6-dimethylmorpholin-4-yl]methyl]-3,3,3-trifluoropropanimidamide
SMILES[H]/N=C(\N)C(CN1C[C@@H](C)O[C@@H](C)C1)C(F)(F)F
InChIInChI=1S/C10H18F3N3O/c1-6-3-16(4-7(2)17-6)5-8(9(14)15)10(11,12)13/h6-8H,3-5H2,1-2H3,(H3,14,15)/t6-,7+,8?
InChIKeyDBJCHVNOTRXYES-DHBOJHSNSA-N
MW253.27 g/mol
LogP1.21
Rot. Bonds3

About 2-[[(2S,6R)-2,6-dimethylmorpholin-4-yl]methyl]-3,3,3-trifluoropropanimidamide

2-[[(2S,6R)-2,6-dimethylmorpholin-4-yl]methyl]-3,3,3-trifluoropropanimidamide (PubChem CID 103370837) has the molecular formula C10H18F3N3O and a molecular weight of 253.27 g/mol. Its IUPAC name is 2-[[(2S,6R)-2,6-dimethylmorpholin-4-yl]methyl]-3,3,3-trifluoropropanimidamide.

Molecular Properties

Compound Name2-[[(2S,6R)-2,6-dimethylmorpholin-4-yl]methyl]-3,3,3-trifluoropropanimidamide
PubChem CID103370837
Molecular FormulaC10H18F3N3O
Molecular Weight253.27 g/mol
Exact Mass253.14
IUPAC Name2-[[(2S,6R)-2,6-dimethylmorpholin-4-yl]methyl]-3,3,3-trifluoropropanimidamide
SMILES[H]/N=C(\N)C(CN1C[C@@H](C)O[C@@H](C)C1)C(F)(F)F
InChIInChI=1S/C10H18F3N3O/c1-6-3-16(4-7(2)17-6)5-8(9(14)15)10(11,12)13/h6-8H,3-5H2,1-2H3,(H3,14,15)/t6-,7+,8?
InChIKeyDBJCHVNOTRXYES-DHBOJHSNSA-N
XLogP1.21
TPSA62.34 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500253.27
LogP ≤ 51.21
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'imine_2', 'substructure': 'N/A'}

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Related Compounds

3-(2,6-Dimethylmorpholin-4-yl)propanimidamide dihydrochloride
CID 45792411
3-[Ethyl-[2-(2,2,2-trifluoroethoxy)ethyl]amino]-2-methylpropanimidamide
CID 54988219
3-[2-Methoxyethyl-[2-(2,2,2-trifluoroethoxy)ethyl]amino]propanimidamide
CID 55170948
3-[Methyl-[2-(2,2,2-trifluoroethoxy)ethyl]amino]propanimidamide
CID 61490646
3-[Ethyl-[2-(2,2,2-trifluoroethoxy)ethyl]amino]propanimidamide
CID 61576310
2-Methyl-3-[methyl-[2-(2,2,2-trifluoroethoxy)ethyl]amino]propanimidamide
CID 61577915
3-[2-Methylpropyl-[2-(2,2,2-trifluoroethoxy)ethyl]amino]propanimidamide
CID 61662607
3-[2,2-Difluoroethyl(2-methoxyethyl)amino]propanimidamide
CID 63285679
3-[2-Methoxyethyl(2,2,2-trifluoroethyl)amino]propanimidamide
CID 63286213
1-[2-(2,2,2-Trifluoroethoxy)ethyl]piperidine-4-carboximidamide
CID 64428084
1-[2-(2,2,2-Trifluoroethoxy)ethyl]piperidine-3-carboximidamide
CID 64444265
3-[2-Methoxyethyl(3,3,3-trifluoropropyl)amino]propanimidamide
CID 64566496

Frequently Asked Questions

What is the IUPAC name of 2-[[(2S,6R)-2,6-dimethylmorpholin-4-yl]methyl]-3,3,3-trifluoropropanimidamide?
The IUPAC name of 2-[[(2S,6R)-2,6-dimethylmorpholin-4-yl]methyl]-3,3,3-trifluoropropanimidamide (CID 103370837) is 2-[[(2S,6R)-2,6-dimethylmorpholin-4-yl]methyl]-3,3,3-trifluoropropanimidamide.
What is the SMILES notation for 2-[[(2S,6R)-2,6-dimethylmorpholin-4-yl]methyl]-3,3,3-trifluoropropanimidamide?
The canonical SMILES for 2-[[(2S,6R)-2,6-dimethylmorpholin-4-yl]methyl]-3,3,3-trifluoropropanimidamide is [H]/N=C(\N)C(CN1C[C@@H](C)O[C@@H](C)C1)C(F)(F)F.
What is the InChIKey of 2-[[(2S,6R)-2,6-dimethylmorpholin-4-yl]methyl]-3,3,3-trifluoropropanimidamide?
The InChIKey is DBJCHVNOTRXYES-DHBOJHSNSA-N. The full InChI is InChI=1S/C10H18F3N3O/c1-6-3-16(4-7(2)17-6)5-8(9(14)15)10(11,12)13/h6-8H,3-5H2,1-2H3,(H3,14,15)/t6-,7+,8?.
What are the key properties of 2-[[(2S,6R)-2,6-dimethylmorpholin-4-yl]methyl]-3,3,3-trifluoropropanimidamide?
2-[[(2S,6R)-2,6-dimethylmorpholin-4-yl]methyl]-3,3,3-trifluoropropanimidamide has a molecular weight of 253.27 g/mol, XLogP of 1.21, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[(2S,6R)-2,6-dimethylmorpholin-4-yl]methyl]-3,3,3-trifluoropropanimidamide is sourced from PubChem (CID 103370837), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).