1-amino-3-(2-methoxyethyl)-2-(2,2,2-trifluoroethyl)guanidine

C6H13F3N4O — CID 104883049

IUPAC1-amino-3-(2-methoxyethyl)-2-(2,2,2-trifluoroethyl)guanidine
SMILESCOCCN/C(=N\CC(F)(F)F)NN
InChIInChI=1S/C6H13F3N4O/c1-14-3-2-11-5(13-10)12-4-6(7,8)9/h2-4,10H2,1H3,(H2,11,12,13)
InChIKeyGQOUBGKYUMVNQN-UHFFFAOYSA-N
MW214.19 g/mol
LogP-0.40
Rot. Bonds4

About 1-amino-3-(2-methoxyethyl)-2-(2,2,2-trifluoroethyl)guanidine

1-amino-3-(2-methoxyethyl)-2-(2,2,2-trifluoroethyl)guanidine (PubChem CID 104883049) has the molecular formula C6H13F3N4O and a molecular weight of 214.19 g/mol. Its IUPAC name is 1-amino-3-(2-methoxyethyl)-2-(2,2,2-trifluoroethyl)guanidine.

Molecular Properties

Compound Name1-amino-3-(2-methoxyethyl)-2-(2,2,2-trifluoroethyl)guanidine
PubChem CID104883049
Molecular FormulaC6H13F3N4O
Molecular Weight214.19 g/mol
Exact Mass214.10
IUPAC Name1-amino-3-(2-methoxyethyl)-2-(2,2,2-trifluoroethyl)guanidine
SMILESCOCCN/C(=N\CC(F)(F)F)NN
InChIInChI=1S/C6H13F3N4O/c1-14-3-2-11-5(13-10)12-4-6(7,8)9/h2-4,10H2,1H3,(H2,11,12,13)
InChIKeyGQOUBGKYUMVNQN-UHFFFAOYSA-N
XLogP-0.40
TPSA71.67 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500214.19
LogP ≤ 5-0.40
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

1-amino-3-(2-methoxyethyl)-2-(4-methylpentyl)guanidine
CID 104885989
1-amino-2-(3-cyclopentylpropyl)-3-(2-methoxyethyl)guanidine
CID 106013168
1-amino-3-(2-methoxyethyl)-2-(4-methylsulfanylbutyl)guanidine
CID 104888522
1-amino-2-benzyl-3-(2-methoxyethyl)guanidine
CID 116511560
3-[[hydrazinyl-(3-methoxypropylamino)methylidene]amino]-N,2,2-trimethylpropanamide
CID 106280948
1-amino-2-(3-methoxypropyl)-3-(2-phenoxyethyl)guanidine
CID 116513779
1-amino-2-(2-methoxypropyl)-3-(3-methoxypropyl)guanidine
CID 102702156
1-amino-3-(2-methoxyethyl)-2-[(1-methylimidazol-2-yl)methyl]guanidine
CID 116515322
1-amino-2-[[1-(dimethylamino)cyclobutyl]methyl]-3-(2-methoxyethyl)guanidine
CID 105421183
2-[[N-amino-N'-(3-methoxypropyl)carbamimidoyl]amino]ethyl carbamate
CID 104888085
3-[[ethylamino-(2-methoxyethylamino)methylidene]amino]-2,2-dimethylpropanamide
CID 110942506
1-ethyl-3-(2-methoxyethyl)-2-(2-methoxy-2-methylpropyl)guanidine
CID 111606699

Frequently Asked Questions

What is the IUPAC name of 1-amino-3-(2-methoxyethyl)-2-(2,2,2-trifluoroethyl)guanidine?
The IUPAC name of 1-amino-3-(2-methoxyethyl)-2-(2,2,2-trifluoroethyl)guanidine (CID 104883049) is 1-amino-3-(2-methoxyethyl)-2-(2,2,2-trifluoroethyl)guanidine.
What is the SMILES notation for 1-amino-3-(2-methoxyethyl)-2-(2,2,2-trifluoroethyl)guanidine?
The canonical SMILES for 1-amino-3-(2-methoxyethyl)-2-(2,2,2-trifluoroethyl)guanidine is COCCN/C(=N\CC(F)(F)F)NN.
What is the InChIKey of 1-amino-3-(2-methoxyethyl)-2-(2,2,2-trifluoroethyl)guanidine?
The InChIKey is GQOUBGKYUMVNQN-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H13F3N4O/c1-14-3-2-11-5(13-10)12-4-6(7,8)9/h2-4,10H2,1H3,(H2,11,12,13).
What are the key properties of 1-amino-3-(2-methoxyethyl)-2-(2,2,2-trifluoroethyl)guanidine?
1-amino-3-(2-methoxyethyl)-2-(2,2,2-trifluoroethyl)guanidine has a molecular weight of 214.19 g/mol, XLogP of -0.40, 4 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-amino-3-(2-methoxyethyl)-2-(2,2,2-trifluoroethyl)guanidine is sourced from PubChem (CID 104883049), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).