2-[[(1-ethylpyrrolidin-2-yl)methylamino]methyl]-3,3,3-trifluoro-N'-hydroxypropanimidamide

C11H21F3N4O — CID 103369582

IUPAC2-[[(1-ethylpyrrolidin-2-yl)methylamino]methyl]-3,3,3-trifluoro-N'-hydroxypropanimidamide
SMILESCCN1CCCC1CNCC(C(N)=NO)C(F)(F)F
InChIInChI=1S/C11H21F3N4O/c1-2-18-5-3-4-8(18)6-16-7-9(10(15)17-19)11(12,13)14/h8-9,16,19H,2-7H2,1H3,(H2,15,17)
InChIKeyCPWJZLYLNJQDCN-UHFFFAOYSA-N
MW282.31 g/mol
LogP0.99
Rot. Bonds6

About 2-[[(1-ethylpyrrolidin-2-yl)methylamino]methyl]-3,3,3-trifluoro-N'-hydroxypropanimidamide

2-[[(1-ethylpyrrolidin-2-yl)methylamino]methyl]-3,3,3-trifluoro-N'-hydroxypropanimidamide (PubChem CID 103369582) has the molecular formula C11H21F3N4O and a molecular weight of 282.31 g/mol. Its IUPAC name is 2-[[(1-ethylpyrrolidin-2-yl)methylamino]methyl]-3,3,3-trifluoro-N'-hydroxypropanimidamide.

Molecular Properties

Compound Name2-[[(1-ethylpyrrolidin-2-yl)methylamino]methyl]-3,3,3-trifluoro-N'-hydroxypropanimidamide
PubChem CID103369582
Molecular FormulaC11H21F3N4O
Molecular Weight282.31 g/mol
Exact Mass282.17
IUPAC Name2-[[(1-ethylpyrrolidin-2-yl)methylamino]methyl]-3,3,3-trifluoro-N'-hydroxypropanimidamide
SMILESCCN1CCCC1CNCC(C(N)=NO)C(F)(F)F
InChIInChI=1S/C11H21F3N4O/c1-2-18-5-3-4-8(18)6-16-7-9(10(15)17-19)11(12,13)14/h8-9,16,19H,2-7H2,1H3,(H2,15,17)
InChIKeyCPWJZLYLNJQDCN-UHFFFAOYSA-N
XLogP0.99
TPSA73.88 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.31
LogP ≤ 50.99
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'imine_2', 'substructure': 'N/A'}, {'alert_name': 'oxime_1', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

Analyze 2-[[(1-ethylpyrrolidin-2-yl)methylamino]methyl]-3,3,3-trifluoro-N'-hydroxypropanimidamide 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-ethylpyrrolidin-2-yl)methylamino]methyl]-3,3,3-trifluoro-N'-hydroxypropanimidamide?
The IUPAC name of 2-[[(1-ethylpyrrolidin-2-yl)methylamino]methyl]-3,3,3-trifluoro-N'-hydroxypropanimidamide (CID 103369582) is 2-[[(1-ethylpyrrolidin-2-yl)methylamino]methyl]-3,3,3-trifluoro-N'-hydroxypropanimidamide.
What is the SMILES notation for 2-[[(1-ethylpyrrolidin-2-yl)methylamino]methyl]-3,3,3-trifluoro-N'-hydroxypropanimidamide?
The canonical SMILES for 2-[[(1-ethylpyrrolidin-2-yl)methylamino]methyl]-3,3,3-trifluoro-N'-hydroxypropanimidamide is CCN1CCCC1CNCC(C(N)=NO)C(F)(F)F.
What is the InChIKey of 2-[[(1-ethylpyrrolidin-2-yl)methylamino]methyl]-3,3,3-trifluoro-N'-hydroxypropanimidamide?
The InChIKey is CPWJZLYLNJQDCN-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H21F3N4O/c1-2-18-5-3-4-8(18)6-16-7-9(10(15)17-19)11(12,13)14/h8-9,16,19H,2-7H2,1H3,(H2,15,17).
What are the key properties of 2-[[(1-ethylpyrrolidin-2-yl)methylamino]methyl]-3,3,3-trifluoro-N'-hydroxypropanimidamide?
2-[[(1-ethylpyrrolidin-2-yl)methylamino]methyl]-3,3,3-trifluoro-N'-hydroxypropanimidamide has a molecular weight of 282.31 g/mol, XLogP of 0.99, 6 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[(1-ethylpyrrolidin-2-yl)methylamino]methyl]-3,3,3-trifluoro-N'-hydroxypropanimidamide is sourced from PubChem (CID 103369582), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).