N-[amino-[amino(2-methoxyethyl)amino]methylidene]-2,2,2-trifluoro-N'-methylethanimidamide

C7H14F3N5O — CID 148541758

IUPACN-[amino-[amino(2-methoxyethyl)amino]methylidene]-2,2,2-trifluoro-N'-methylethanimidamide
SMILESC/N=C(/N=C(\N)N(N)CCOC)C(F)(F)F
InChIInChI=1S/C7H14F3N5O/c1-13-5(7(8,9)10)14-6(11)15(12)3-4-16-2/h3-4,12H2,1-2H3,(H2,11,13,14)
InChIKeyMSHMEAGXTSHQEJ-UHFFFAOYSA-N
MW241.22 g/mol
LogP-0.29
Rot. Bonds3

About N-[amino-[amino(2-methoxyethyl)amino]methylidene]-2,2,2-trifluoro-N'-methylethanimidamide

N-[amino-[amino(2-methoxyethyl)amino]methylidene]-2,2,2-trifluoro-N'-methylethanimidamide (PubChem CID 148541758) has the molecular formula C7H14F3N5O and a molecular weight of 241.22 g/mol. Its IUPAC name is N-[amino-[amino(2-methoxyethyl)amino]methylidene]-2,2,2-trifluoro-N'-methylethanimidamide.

Molecular Properties

Compound NameN-[amino-[amino(2-methoxyethyl)amino]methylidene]-2,2,2-trifluoro-N'-methylethanimidamide
PubChem CID148541758
Molecular FormulaC7H14F3N5O
Molecular Weight241.22 g/mol
Exact Mass241.12
IUPAC NameN-[amino-[amino(2-methoxyethyl)amino]methylidene]-2,2,2-trifluoro-N'-methylethanimidamide
SMILESC/N=C(/N=C(\N)N(N)CCOC)C(F)(F)F
InChIInChI=1S/C7H14F3N5O/c1-13-5(7(8,9)10)14-6(11)15(12)3-4-16-2/h3-4,12H2,1-2H3,(H2,11,13,14)
InChIKeyMSHMEAGXTSHQEJ-UHFFFAOYSA-N
XLogP-0.29
TPSA89.23 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500241.22
LogP ≤ 5-0.29
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'hydrazine', 'substructure': 'N/A'}, {'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'imine_2', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

2-tert-butyl-1,1-bis(2-methoxyethyl)guanidine
CID 62364543
2-amino-3,3,3-trifluoro-N,N-bis(2-methoxyethyl)-2-methylpropanamide
CID 79796803
2-[[cyclopropyl(2-methoxyethyl)amino]methyl]-3,3,3-trifluoro-N'-hydroxypropanimidamide
CID 103369327
(E)-4,4,4-trifluoro-3-(1-methoxypropan-2-ylimino)but-1-ene-1,2-diamine
CID 169213418
2-methoxyethyl 4,4,4-trifluoro-3-oxobutanoate
CID 139223532
N-ethyl-N-(2-methoxyethyl)-N'-methylethanimidamide
CID 144955256
2-[bis(2-methoxyethyl)amino]-N'-hydroxyethanimidamide
CID 60661910
N-(2-methoxyethyl)-N,N'-dimethylmethanimidamide
CID 90250322
1-butyl-1-(2-methoxyethyl)hydrazine
CID 90394089
1-(2-methoxyethyl)-1-methyl-2-(2-methylpropyl)guanidine
CID 62362563
1-ethyl-1-(2-methoxyethyl)-2-propylguanidine
CID 62364781
(Z)-1-[amino(2-methoxyethyl)amino]but-1-en-2-amine
CID 145256992

Frequently Asked Questions

What is the IUPAC name of N-[amino-[amino(2-methoxyethyl)amino]methylidene]-2,2,2-trifluoro-N'-methylethanimidamide?
The IUPAC name of N-[amino-[amino(2-methoxyethyl)amino]methylidene]-2,2,2-trifluoro-N'-methylethanimidamide (CID 148541758) is N-[amino-[amino(2-methoxyethyl)amino]methylidene]-2,2,2-trifluoro-N'-methylethanimidamide.
What is the SMILES notation for N-[amino-[amino(2-methoxyethyl)amino]methylidene]-2,2,2-trifluoro-N'-methylethanimidamide?
The canonical SMILES for N-[amino-[amino(2-methoxyethyl)amino]methylidene]-2,2,2-trifluoro-N'-methylethanimidamide is C/N=C(/N=C(\N)N(N)CCOC)C(F)(F)F.
What is the InChIKey of N-[amino-[amino(2-methoxyethyl)amino]methylidene]-2,2,2-trifluoro-N'-methylethanimidamide?
The InChIKey is MSHMEAGXTSHQEJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H14F3N5O/c1-13-5(7(8,9)10)14-6(11)15(12)3-4-16-2/h3-4,12H2,1-2H3,(H2,11,13,14).
What are the key properties of N-[amino-[amino(2-methoxyethyl)amino]methylidene]-2,2,2-trifluoro-N'-methylethanimidamide?
N-[amino-[amino(2-methoxyethyl)amino]methylidene]-2,2,2-trifluoro-N'-methylethanimidamide has a molecular weight of 241.22 g/mol, XLogP of -0.29, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[amino-[amino(2-methoxyethyl)amino]methylidene]-2,2,2-trifluoro-N'-methylethanimidamide is sourced from PubChem (CID 148541758), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).