2-[[bis(2-methoxyethyl)amino]methyl]-3,3,3-trifluoropropanimidamide

C10H20F3N3O2 — CID 103370623

IUPAC2-[[bis(2-methoxyethyl)amino]methyl]-3,3,3-trifluoropropanimidamide
SMILES[H]/N=C(\N)C(CN(CCOC)CCOC)C(F)(F)F
InChIInChI=1S/C10H20F3N3O2/c1-17-5-3-16(4-6-18-2)7-8(9(14)15)10(11,12)13/h8H,3-7H2,1-2H3,(H3,14,15)
InChIKeyOKFWQRVJBQJEJZ-UHFFFAOYSA-N
MW271.28 g/mol
LogP0.70
Rot. Bonds9

About 2-[[bis(2-methoxyethyl)amino]methyl]-3,3,3-trifluoropropanimidamide

2-[[bis(2-methoxyethyl)amino]methyl]-3,3,3-trifluoropropanimidamide (PubChem CID 103370623) has the molecular formula C10H20F3N3O2 and a molecular weight of 271.28 g/mol. Its IUPAC name is 2-[[bis(2-methoxyethyl)amino]methyl]-3,3,3-trifluoropropanimidamide.

Molecular Properties

Compound Name2-[[bis(2-methoxyethyl)amino]methyl]-3,3,3-trifluoropropanimidamide
PubChem CID103370623
Molecular FormulaC10H20F3N3O2
Molecular Weight271.28 g/mol
Exact Mass271.15
IUPAC Name2-[[bis(2-methoxyethyl)amino]methyl]-3,3,3-trifluoropropanimidamide
SMILES[H]/N=C(\N)C(CN(CCOC)CCOC)C(F)(F)F
InChIInChI=1S/C10H20F3N3O2/c1-17-5-3-16(4-6-18-2)7-8(9(14)15)10(11,12)13/h8H,3-7H2,1-2H3,(H3,14,15)
InChIKeyOKFWQRVJBQJEJZ-UHFFFAOYSA-N
XLogP0.70
TPSA71.57 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500271.28
LogP ≤ 50.70
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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-[ethyl-[2-(2,2,2-trifluoroethoxy)ethyl]amino]-N'-hydroxy-2-methylpropanimidamide
CID 54987483
3-[Ethyl-[2-(2,2,2-trifluoroethoxy)ethyl]amino]-2-methylpropanimidamide
CID 54988219
3-[Ethyl-[3-(2,2,2-trifluoroethoxy)propyl]amino]-2-methylpropanimidamide
CID 54988220
N'-hydroxy-2-methyl-3-[methyl-[2-(2,2,2-trifluoroethoxy)ethyl]amino]propanimidamide
CID 54991981
2-Methyl-3-[methyl-[3-(2,2,2-trifluoroethoxy)propyl]amino]propanimidamide
CID 54992046
3-[ethyl-[2-(2,2,2-trifluoroethoxy)ethyl]amino]-N'-hydroxypropanimidamide
CID 54992458
3-[Propan-2-yl-[2-(2,2,2-trifluoroethoxy)ethyl]amino]propanimidamide
CID 54996526
3-[2-Methoxyethyl-[2-(2,2,2-trifluoroethoxy)ethyl]amino]propanimidamide
CID 55170948
N'-hydroxy-3-[2-methoxyethyl-[2-(2,2,2-trifluoroethoxy)ethyl]amino]propanimidamide
CID 55171522
N'-hydroxy-3-[methyl-[2-(2,2,2-trifluoroethoxy)ethyl]amino]propanimidamide
CID 61490536
3-[Methyl-[2-(2,2,2-trifluoroethoxy)ethyl]amino]propanimidamide
CID 61490646
3-[Ethyl-[2-(2,2,2-trifluoroethoxy)ethyl]amino]propanimidamide
CID 61576310

Frequently Asked Questions

What is the IUPAC name of 2-[[bis(2-methoxyethyl)amino]methyl]-3,3,3-trifluoropropanimidamide?
The IUPAC name of 2-[[bis(2-methoxyethyl)amino]methyl]-3,3,3-trifluoropropanimidamide (CID 103370623) is 2-[[bis(2-methoxyethyl)amino]methyl]-3,3,3-trifluoropropanimidamide.
What is the SMILES notation for 2-[[bis(2-methoxyethyl)amino]methyl]-3,3,3-trifluoropropanimidamide?
The canonical SMILES for 2-[[bis(2-methoxyethyl)amino]methyl]-3,3,3-trifluoropropanimidamide is [H]/N=C(\N)C(CN(CCOC)CCOC)C(F)(F)F.
What is the InChIKey of 2-[[bis(2-methoxyethyl)amino]methyl]-3,3,3-trifluoropropanimidamide?
The InChIKey is OKFWQRVJBQJEJZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H20F3N3O2/c1-17-5-3-16(4-6-18-2)7-8(9(14)15)10(11,12)13/h8H,3-7H2,1-2H3,(H3,14,15).
What are the key properties of 2-[[bis(2-methoxyethyl)amino]methyl]-3,3,3-trifluoropropanimidamide?
2-[[bis(2-methoxyethyl)amino]methyl]-3,3,3-trifluoropropanimidamide has a molecular weight of 271.28 g/mol, XLogP of 0.70, 9 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[bis(2-methoxyethyl)amino]methyl]-3,3,3-trifluoropropanimidamide is sourced from PubChem (CID 103370623), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).