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

C11H18F3N3 — CID 65492324

IUPAC2-[1-[[cyclopropyl(2,2,2-trifluoroethyl)amino]methyl]cyclopropyl]ethanimidamide
SMILES[H]/N=C(\N)CC1(CN(CC(F)(F)F)C2CC2)CC1
InChIInChI=1S/C11H18F3N3/c12-11(13,14)7-17(8-1-2-8)6-10(3-4-10)5-9(15)16/h8H,1-7H2,(H3,15,16)
InChIKeyJHVPYBHBNJFOLR-UHFFFAOYSA-N
MW249.28 g/mol
LogP2.12
Rot. Bonds6

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

2-[1-[[cyclopropyl(2,2,2-trifluoroethyl)amino]methyl]cyclopropyl]ethanimidamide (PubChem CID 65492324) has the molecular formula C11H18F3N3 and a molecular weight of 249.28 g/mol. Its IUPAC name is 2-[1-[[cyclopropyl(2,2,2-trifluoroethyl)amino]methyl]cyclopropyl]ethanimidamide.

Molecular Properties

Compound Name2-[1-[[cyclopropyl(2,2,2-trifluoroethyl)amino]methyl]cyclopropyl]ethanimidamide
PubChem CID65492324
Molecular FormulaC11H18F3N3
Molecular Weight249.28 g/mol
Exact Mass249.15
IUPAC Name2-[1-[[cyclopropyl(2,2,2-trifluoroethyl)amino]methyl]cyclopropyl]ethanimidamide
SMILES[H]/N=C(\N)CC1(CN(CC(F)(F)F)C2CC2)CC1
InChIInChI=1S/C11H18F3N3/c12-11(13,14)7-17(8-1-2-8)6-10(3-4-10)5-9(15)16/h8H,1-7H2,(H3,15,16)
InChIKeyJHVPYBHBNJFOLR-UHFFFAOYSA-N
XLogP2.12
TPSA53.11 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500249.28
LogP ≤ 52.12
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'}

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Frequently Asked Questions

What is the IUPAC name of 2-[1-[[cyclopropyl(2,2,2-trifluoroethyl)amino]methyl]cyclopropyl]ethanimidamide?
The IUPAC name of 2-[1-[[cyclopropyl(2,2,2-trifluoroethyl)amino]methyl]cyclopropyl]ethanimidamide (CID 65492324) is 2-[1-[[cyclopropyl(2,2,2-trifluoroethyl)amino]methyl]cyclopropyl]ethanimidamide.
What is the SMILES notation for 2-[1-[[cyclopropyl(2,2,2-trifluoroethyl)amino]methyl]cyclopropyl]ethanimidamide?
The canonical SMILES for 2-[1-[[cyclopropyl(2,2,2-trifluoroethyl)amino]methyl]cyclopropyl]ethanimidamide is [H]/N=C(\N)CC1(CN(CC(F)(F)F)C2CC2)CC1.
What is the InChIKey of 2-[1-[[cyclopropyl(2,2,2-trifluoroethyl)amino]methyl]cyclopropyl]ethanimidamide?
The InChIKey is JHVPYBHBNJFOLR-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H18F3N3/c12-11(13,14)7-17(8-1-2-8)6-10(3-4-10)5-9(15)16/h8H,1-7H2,(H3,15,16).
What are the key properties of 2-[1-[[cyclopropyl(2,2,2-trifluoroethyl)amino]methyl]cyclopropyl]ethanimidamide?
2-[1-[[cyclopropyl(2,2,2-trifluoroethyl)amino]methyl]cyclopropyl]ethanimidamide has a molecular weight of 249.28 g/mol, XLogP of 2.12, 6 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1-[[cyclopropyl(2,2,2-trifluoroethyl)amino]methyl]cyclopropyl]ethanimidamide is sourced from PubChem (CID 65492324), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).