2-[1-[[propyl(2,2,2-trifluoroethyl)amino]methyl]cyclopropyl]ethanimidamide

C11H20F3N3 — CID 65492527

IUPAC2-[1-[[propyl(2,2,2-trifluoroethyl)amino]methyl]cyclopropyl]ethanimidamide
SMILES[H]/N=C(\N)CC1(CN(CCC)CC(F)(F)F)CC1
InChIInChI=1S/C11H20F3N3/c1-2-5-17(8-11(12,13)14)7-10(3-4-10)6-9(15)16/h2-8H2,1H3,(H3,15,16)
InChIKeyPNIHLINBFVPKSF-UHFFFAOYSA-N
MW251.30 g/mol
LogP2.37
Rot. Bonds7

About 2-[1-[[propyl(2,2,2-trifluoroethyl)amino]methyl]cyclopropyl]ethanimidamide

2-[1-[[propyl(2,2,2-trifluoroethyl)amino]methyl]cyclopropyl]ethanimidamide (PubChem CID 65492527) has the molecular formula C11H20F3N3 and a molecular weight of 251.30 g/mol. Its IUPAC name is 2-[1-[[propyl(2,2,2-trifluoroethyl)amino]methyl]cyclopropyl]ethanimidamide.

Molecular Properties

Compound Name2-[1-[[propyl(2,2,2-trifluoroethyl)amino]methyl]cyclopropyl]ethanimidamide
PubChem CID65492527
Molecular FormulaC11H20F3N3
Molecular Weight251.30 g/mol
Exact Mass251.16
IUPAC Name2-[1-[[propyl(2,2,2-trifluoroethyl)amino]methyl]cyclopropyl]ethanimidamide
SMILES[H]/N=C(\N)CC1(CN(CCC)CC(F)(F)F)CC1
InChIInChI=1S/C11H20F3N3/c1-2-5-17(8-11(12,13)14)7-10(3-4-10)6-9(15)16/h2-8H2,1H3,(H3,15,16)
InChIKeyPNIHLINBFVPKSF-UHFFFAOYSA-N
XLogP2.37
TPSA53.11 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500251.30
LogP ≤ 52.37
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze 2-[1-[[propyl(2,2,2-trifluoroethyl)amino]methyl]cyclopropyl]ethanimidamide 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 2-[1-[[propyl(2,2,2-trifluoroethyl)amino]methyl]cyclopropyl]ethanimidamide?
The IUPAC name of 2-[1-[[propyl(2,2,2-trifluoroethyl)amino]methyl]cyclopropyl]ethanimidamide (CID 65492527) is 2-[1-[[propyl(2,2,2-trifluoroethyl)amino]methyl]cyclopropyl]ethanimidamide.
What is the SMILES notation for 2-[1-[[propyl(2,2,2-trifluoroethyl)amino]methyl]cyclopropyl]ethanimidamide?
The canonical SMILES for 2-[1-[[propyl(2,2,2-trifluoroethyl)amino]methyl]cyclopropyl]ethanimidamide is [H]/N=C(\N)CC1(CN(CCC)CC(F)(F)F)CC1.
What is the InChIKey of 2-[1-[[propyl(2,2,2-trifluoroethyl)amino]methyl]cyclopropyl]ethanimidamide?
The InChIKey is PNIHLINBFVPKSF-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H20F3N3/c1-2-5-17(8-11(12,13)14)7-10(3-4-10)6-9(15)16/h2-8H2,1H3,(H3,15,16).
What are the key properties of 2-[1-[[propyl(2,2,2-trifluoroethyl)amino]methyl]cyclopropyl]ethanimidamide?
2-[1-[[propyl(2,2,2-trifluoroethyl)amino]methyl]cyclopropyl]ethanimidamide has a molecular weight of 251.30 g/mol, XLogP of 2.37, 7 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1-[[propyl(2,2,2-trifluoroethyl)amino]methyl]cyclopropyl]ethanimidamide is sourced from PubChem (CID 65492527), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).