3-[methyl-[2-(2,2,2-trifluoroethoxy)ethyl]amino]propanimidamide

C8H16F3N3O — CID 61490646

IUPAC3-[methyl-[2-(2,2,2-trifluoroethoxy)ethyl]amino]propanimidamide
SMILES[H]/N=C(\N)CCN(C)CCOCC(F)(F)F
InChIInChI=1S/C8H16F3N3O/c1-14(3-2-7(12)13)4-5-15-6-8(9,10)11/h2-6H2,1H3,(H3,12,13)
InChIKeySSFVETHVAKZECF-UHFFFAOYSA-N
MW227.23 g/mol
LogP0.82
Rot. Bonds7

About 3-[methyl-[2-(2,2,2-trifluoroethoxy)ethyl]amino]propanimidamide

3-[methyl-[2-(2,2,2-trifluoroethoxy)ethyl]amino]propanimidamide (PubChem CID 61490646) has the molecular formula C8H16F3N3O and a molecular weight of 227.23 g/mol. Its IUPAC name is 3-[methyl-[2-(2,2,2-trifluoroethoxy)ethyl]amino]propanimidamide.

Molecular Properties

Compound Name3-[methyl-[2-(2,2,2-trifluoroethoxy)ethyl]amino]propanimidamide
PubChem CID61490646
Molecular FormulaC8H16F3N3O
Molecular Weight227.23 g/mol
Exact Mass227.12
IUPAC Name3-[methyl-[2-(2,2,2-trifluoroethoxy)ethyl]amino]propanimidamide
SMILES[H]/N=C(\N)CCN(C)CCOCC(F)(F)F
InChIInChI=1S/C8H16F3N3O/c1-14(3-2-7(12)13)4-5-15-6-8(9,10)11/h2-6H2,1H3,(H3,12,13)
InChIKeySSFVETHVAKZECF-UHFFFAOYSA-N
XLogP0.82
TPSA62.34 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500227.23
LogP ≤ 50.82
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

3-[2-methoxyethyl-[2-(2,2,2-trifluoroethoxy)ethyl]amino]propanimidamide
CID 55170948
3-[2-ethoxyethyl(methyl)amino]propanimidamide
CID 43457219
3-[methyl-[2-(2,2,2-trifluoroethoxy)ethyl]amino]butanimidamide
CID 63224608
3-[[methyl-[2-(2,2,2-trifluoroethoxy)ethyl]amino]methyl]benzenecarboximidamide
CID 62966526
2-[methyl-[2-(2,2,2-trifluoroethoxy)ethyl]amino]acetic acid
CID 61490462
N'-hydroxy-3-[methyl-[3-(2,2,2-trifluoroethoxy)propyl]amino]propanimidamide
CID 54961975
3-[butyl(methyl)amino]propanimidamide
CID 24696065
3-(2,2-dimethylpropoxy)propanimidamide
CID 159874178
3-[(2-hydroxy-2-methylpropyl)-methylamino]propanimidamide
CID 79387020
1-[[methyl-[2-(2,2,2-trifluoroethoxy)ethyl]amino]methyl]cyclopentan-1-ol
CID 115758625
3-(dimethylamino)propanimidamide;dihydrochloride
CID 47002520
N'-methyl-N-propyl-N'-[2-(2,2,2-trifluoroethoxy)ethyl]ethane-1,2-diamine
CID 62591348

Frequently Asked Questions

What is the IUPAC name of 3-[methyl-[2-(2,2,2-trifluoroethoxy)ethyl]amino]propanimidamide?
The IUPAC name of 3-[methyl-[2-(2,2,2-trifluoroethoxy)ethyl]amino]propanimidamide (CID 61490646) is 3-[methyl-[2-(2,2,2-trifluoroethoxy)ethyl]amino]propanimidamide.
What is the SMILES notation for 3-[methyl-[2-(2,2,2-trifluoroethoxy)ethyl]amino]propanimidamide?
The canonical SMILES for 3-[methyl-[2-(2,2,2-trifluoroethoxy)ethyl]amino]propanimidamide is [H]/N=C(\N)CCN(C)CCOCC(F)(F)F.
What is the InChIKey of 3-[methyl-[2-(2,2,2-trifluoroethoxy)ethyl]amino]propanimidamide?
The InChIKey is SSFVETHVAKZECF-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H16F3N3O/c1-14(3-2-7(12)13)4-5-15-6-8(9,10)11/h2-6H2,1H3,(H3,12,13).
What are the key properties of 3-[methyl-[2-(2,2,2-trifluoroethoxy)ethyl]amino]propanimidamide?
3-[methyl-[2-(2,2,2-trifluoroethoxy)ethyl]amino]propanimidamide has a molecular weight of 227.23 g/mol, XLogP of 0.82, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[methyl-[2-(2,2,2-trifluoroethoxy)ethyl]amino]propanimidamide is sourced from PubChem (CID 61490646), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).