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

C9H16F3N3 — CID 65492312

IUPAC2-[1-[[methyl(2,2,2-trifluoroethyl)amino]methyl]cyclopropyl]ethanimidamide
SMILES[H]/N=C(\N)CC1(CN(C)CC(F)(F)F)CC1
InChIInChI=1S/C9H16F3N3/c1-15(6-9(10,11)12)5-8(2-3-8)4-7(13)14/h2-6H2,1H3,(H3,13,14)
InChIKeyMXAXUAPZCLREOQ-UHFFFAOYSA-N
MW223.24 g/mol
LogP1.59
Rot. Bonds5

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

2-[1-[[methyl(2,2,2-trifluoroethyl)amino]methyl]cyclopropyl]ethanimidamide (PubChem CID 65492312) has the molecular formula C9H16F3N3 and a molecular weight of 223.24 g/mol. Its IUPAC name is 2-[1-[[methyl(2,2,2-trifluoroethyl)amino]methyl]cyclopropyl]ethanimidamide.

Molecular Properties

Compound Name2-[1-[[methyl(2,2,2-trifluoroethyl)amino]methyl]cyclopropyl]ethanimidamide
PubChem CID65492312
Molecular FormulaC9H16F3N3
Molecular Weight223.24 g/mol
Exact Mass223.13
IUPAC Name2-[1-[[methyl(2,2,2-trifluoroethyl)amino]methyl]cyclopropyl]ethanimidamide
SMILES[H]/N=C(\N)CC1(CN(C)CC(F)(F)F)CC1
InChIInChI=1S/C9H16F3N3/c1-15(6-9(10,11)12)5-8(2-3-8)4-7(13)14/h2-6H2,1H3,(H3,13,14)
InChIKeyMXAXUAPZCLREOQ-UHFFFAOYSA-N
XLogP1.59
TPSA53.11 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500223.24
LogP ≤ 51.59
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-[[methyl(2,2,2-trifluoroethyl)amino]methyl]cyclopropyl]ethanimidamide?
The IUPAC name of 2-[1-[[methyl(2,2,2-trifluoroethyl)amino]methyl]cyclopropyl]ethanimidamide (CID 65492312) is 2-[1-[[methyl(2,2,2-trifluoroethyl)amino]methyl]cyclopropyl]ethanimidamide.
What is the SMILES notation for 2-[1-[[methyl(2,2,2-trifluoroethyl)amino]methyl]cyclopropyl]ethanimidamide?
The canonical SMILES for 2-[1-[[methyl(2,2,2-trifluoroethyl)amino]methyl]cyclopropyl]ethanimidamide is [H]/N=C(\N)CC1(CN(C)CC(F)(F)F)CC1.
What is the InChIKey of 2-[1-[[methyl(2,2,2-trifluoroethyl)amino]methyl]cyclopropyl]ethanimidamide?
The InChIKey is MXAXUAPZCLREOQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H16F3N3/c1-15(6-9(10,11)12)5-8(2-3-8)4-7(13)14/h2-6H2,1H3,(H3,13,14).
What are the key properties of 2-[1-[[methyl(2,2,2-trifluoroethyl)amino]methyl]cyclopropyl]ethanimidamide?
2-[1-[[methyl(2,2,2-trifluoroethyl)amino]methyl]cyclopropyl]ethanimidamide has a molecular weight of 223.24 g/mol, XLogP of 1.59, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1-[[methyl(2,2,2-trifluoroethyl)amino]methyl]cyclopropyl]ethanimidamide is sourced from PubChem (CID 65492312), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).