N-amino-N'-(2-methoxyethyl)-4-(2,2,2-trifluoroethyl)piperazine-1-carboximidamide

C10H20F3N5O — CID 104885936

IUPACN-amino-N'-(2-methoxyethyl)-4-(2,2,2-trifluoroethyl)piperazine-1-carboximidamide
SMILESCOCC/N=C(\NN)N1CCN(CC(F)(F)F)CC1
InChIInChI=1S/C10H20F3N5O/c1-19-7-2-15-9(16-14)18-5-3-17(4-6-18)8-10(11,12)13/h2-8,14H2,1H3,(H,15,16)
InChIKeyKXTQQTCQOIMSOO-UHFFFAOYSA-N
MW283.30 g/mol
LogP-0.37
Rot. Bonds4

About N-amino-N'-(2-methoxyethyl)-4-(2,2,2-trifluoroethyl)piperazine-1-carboximidamide

N-amino-N'-(2-methoxyethyl)-4-(2,2,2-trifluoroethyl)piperazine-1-carboximidamide (PubChem CID 104885936) has the molecular formula C10H20F3N5O and a molecular weight of 283.30 g/mol. Its IUPAC name is N-amino-N'-(2-methoxyethyl)-4-(2,2,2-trifluoroethyl)piperazine-1-carboximidamide.

Molecular Properties

Compound NameN-amino-N'-(2-methoxyethyl)-4-(2,2,2-trifluoroethyl)piperazine-1-carboximidamide
PubChem CID104885936
Molecular FormulaC10H20F3N5O
Molecular Weight283.30 g/mol
Exact Mass283.16
IUPAC NameN-amino-N'-(2-methoxyethyl)-4-(2,2,2-trifluoroethyl)piperazine-1-carboximidamide
SMILESCOCC/N=C(\NN)N1CCN(CC(F)(F)F)CC1
InChIInChI=1S/C10H20F3N5O/c1-19-7-2-15-9(16-14)18-5-3-17(4-6-18)8-10(11,12)13/h2-8,14H2,1H3,(H,15,16)
InChIKeyKXTQQTCQOIMSOO-UHFFFAOYSA-N
XLogP-0.37
TPSA66.12 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.30
LogP ≤ 5-0.37
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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'}

Analyze N-amino-N'-(2-methoxyethyl)-4-(2,2,2-trifluoroethyl)piperazine-1-carboximidamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N-amino-N'-methyl-4-(2,2,2-trifluoroethyl)piperazine-1-carboximidamide
CID 104882205
3-Amino-2-(2-methoxyethyl)-1-methyl-1-(2,2,2-trifluoroethyl)guanidine
CID 104884165
3-Amino-2-(1-methoxypropan-2-yl)-1-propan-2-yl-1-(2,2,2-trifluoroethyl)guanidine
CID 104884422
3-Amino-1-ethyl-2-(1-methoxypropan-2-yl)-1-(2,2,2-trifluoroethyl)guanidine
CID 104884431
3-Amino-1-ethyl-2-(2-methoxyethyl)-1-(2,2,2-trifluoroethyl)guanidine
CID 104884441
N-amino-N'-(1-methoxypropan-2-yl)-4-(2,2,2-trifluoroethyl)piperazine-1-carboximidamide
CID 104885928
N-amino-N'-(3-ethoxypropyl)-4-(2,2,2-trifluoroethyl)piperazine-1-carboximidamide
CID 104885930
N-amino-N'-(3-methoxypropyl)-4-(2,2,2-trifluoroethyl)piperazine-1-carboximidamide
CID 104885932
3-Amino-2-(2-methoxyethyl)-1-methyl-1-(3,3,3-trifluoropropyl)guanidine
CID 104887045
3-Amino-1-(2,2-difluoroethyl)-2-(2-methoxyethyl)-1-methylguanidine
CID 104888984
3-Amino-2-(2-methoxyethyl)-1-propan-2-yl-1-(2,2,2-trifluoroethyl)guanidine
CID 113530245
3-Amino-2-(2-methoxyethyl)-1-propyl-1-(2,2,2-trifluoroethyl)guanidine
CID 113530263

Frequently Asked Questions

What is the IUPAC name of N-amino-N'-(2-methoxyethyl)-4-(2,2,2-trifluoroethyl)piperazine-1-carboximidamide?
The IUPAC name of N-amino-N'-(2-methoxyethyl)-4-(2,2,2-trifluoroethyl)piperazine-1-carboximidamide (CID 104885936) is N-amino-N'-(2-methoxyethyl)-4-(2,2,2-trifluoroethyl)piperazine-1-carboximidamide.
What is the SMILES notation for N-amino-N'-(2-methoxyethyl)-4-(2,2,2-trifluoroethyl)piperazine-1-carboximidamide?
The canonical SMILES for N-amino-N'-(2-methoxyethyl)-4-(2,2,2-trifluoroethyl)piperazine-1-carboximidamide is COCC/N=C(\NN)N1CCN(CC(F)(F)F)CC1.
What is the InChIKey of N-amino-N'-(2-methoxyethyl)-4-(2,2,2-trifluoroethyl)piperazine-1-carboximidamide?
The InChIKey is KXTQQTCQOIMSOO-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H20F3N5O/c1-19-7-2-15-9(16-14)18-5-3-17(4-6-18)8-10(11,12)13/h2-8,14H2,1H3,(H,15,16).
What are the key properties of N-amino-N'-(2-methoxyethyl)-4-(2,2,2-trifluoroethyl)piperazine-1-carboximidamide?
N-amino-N'-(2-methoxyethyl)-4-(2,2,2-trifluoroethyl)piperazine-1-carboximidamide has a molecular weight of 283.30 g/mol, XLogP of -0.37, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-amino-N'-(2-methoxyethyl)-4-(2,2,2-trifluoroethyl)piperazine-1-carboximidamide is sourced from PubChem (CID 104885936), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).