1,1-diethyl-2-[2-[methyl(2,2,2-trifluoroethyl)amino]ethyl]guanidine

C10H21F3N4 — CID 111803238

IUPAC1,1-diethyl-2-[2-[methyl(2,2,2-trifluoroethyl)amino]ethyl]guanidine
SMILESCCN(CC)/C(N)=N/CCN(C)CC(F)(F)F
InChIInChI=1S/C10H21F3N4/c1-4-17(5-2)9(14)15-6-7-16(3)8-10(11,12)13/h4-8H2,1-3H3,(H2,14,15)
InChIKeyNSILFVCESSWWEE-UHFFFAOYSA-N
MW254.30 g/mol
LogP1.14
Rot. Bonds6

About 1,1-diethyl-2-[2-[methyl(2,2,2-trifluoroethyl)amino]ethyl]guanidine

1,1-diethyl-2-[2-[methyl(2,2,2-trifluoroethyl)amino]ethyl]guanidine (PubChem CID 111803238) has the molecular formula C10H21F3N4 and a molecular weight of 254.30 g/mol. Its IUPAC name is 1,1-diethyl-2-[2-[methyl(2,2,2-trifluoroethyl)amino]ethyl]guanidine.

Molecular Properties

Compound Name1,1-diethyl-2-[2-[methyl(2,2,2-trifluoroethyl)amino]ethyl]guanidine
PubChem CID111803238
Molecular FormulaC10H21F3N4
Molecular Weight254.30 g/mol
Exact Mass254.17
IUPAC Name1,1-diethyl-2-[2-[methyl(2,2,2-trifluoroethyl)amino]ethyl]guanidine
SMILESCCN(CC)/C(N)=N/CCN(C)CC(F)(F)F
InChIInChI=1S/C10H21F3N4/c1-4-17(5-2)9(14)15-6-7-16(3)8-10(11,12)13/h4-8H2,1-3H3,(H2,14,15)
InChIKeyNSILFVCESSWWEE-UHFFFAOYSA-N
XLogP1.14
TPSA44.86 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500254.30
LogP ≤ 51.14
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze 1,1-diethyl-2-[2-[methyl(2,2,2-trifluoroethyl)amino]ethyl]guanidine with MolForge

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

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 1,1-diethyl-2-[2-[methyl(2,2,2-trifluoroethyl)amino]ethyl]guanidine?
The IUPAC name of 1,1-diethyl-2-[2-[methyl(2,2,2-trifluoroethyl)amino]ethyl]guanidine (CID 111803238) is 1,1-diethyl-2-[2-[methyl(2,2,2-trifluoroethyl)amino]ethyl]guanidine.
What is the SMILES notation for 1,1-diethyl-2-[2-[methyl(2,2,2-trifluoroethyl)amino]ethyl]guanidine?
The canonical SMILES for 1,1-diethyl-2-[2-[methyl(2,2,2-trifluoroethyl)amino]ethyl]guanidine is CCN(CC)/C(N)=N/CCN(C)CC(F)(F)F.
What is the InChIKey of 1,1-diethyl-2-[2-[methyl(2,2,2-trifluoroethyl)amino]ethyl]guanidine?
The InChIKey is NSILFVCESSWWEE-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H21F3N4/c1-4-17(5-2)9(14)15-6-7-16(3)8-10(11,12)13/h4-8H2,1-3H3,(H2,14,15).
What are the key properties of 1,1-diethyl-2-[2-[methyl(2,2,2-trifluoroethyl)amino]ethyl]guanidine?
1,1-diethyl-2-[2-[methyl(2,2,2-trifluoroethyl)amino]ethyl]guanidine has a molecular weight of 254.30 g/mol, XLogP of 1.14, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1,1-diethyl-2-[2-[methyl(2,2,2-trifluoroethyl)amino]ethyl]guanidine is sourced from PubChem (CID 111803238), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).