2-[[cyclopentylmethyl(methyl)amino]methyl]-3,3,3-trifluoro-N'-hydroxypropanimidamide

C11H20F3N3O — CID 103369434

IUPAC2-[[cyclopentylmethyl(methyl)amino]methyl]-3,3,3-trifluoro-N'-hydroxypropanimidamide
SMILESCN(CC1CCCC1)CC(C(N)=NO)C(F)(F)F
InChIInChI=1S/C11H20F3N3O/c1-17(6-8-4-2-3-5-8)7-9(10(15)16-18)11(12,13)14/h8-9,18H,2-7H2,1H3,(H2,15,16)
InChIKeyFGRRBBZZGJWGGW-UHFFFAOYSA-N
MW267.29 g/mol
LogP2.03
Rot. Bonds5

About 2-[[cyclopentylmethyl(methyl)amino]methyl]-3,3,3-trifluoro-N'-hydroxypropanimidamide

2-[[cyclopentylmethyl(methyl)amino]methyl]-3,3,3-trifluoro-N'-hydroxypropanimidamide (PubChem CID 103369434) has the molecular formula C11H20F3N3O and a molecular weight of 267.29 g/mol. Its IUPAC name is 2-[[cyclopentylmethyl(methyl)amino]methyl]-3,3,3-trifluoro-N'-hydroxypropanimidamide.

Molecular Properties

Compound Name2-[[cyclopentylmethyl(methyl)amino]methyl]-3,3,3-trifluoro-N'-hydroxypropanimidamide
PubChem CID103369434
Molecular FormulaC11H20F3N3O
Molecular Weight267.29 g/mol
Exact Mass267.16
IUPAC Name2-[[cyclopentylmethyl(methyl)amino]methyl]-3,3,3-trifluoro-N'-hydroxypropanimidamide
SMILESCN(CC1CCCC1)CC(C(N)=NO)C(F)(F)F
InChIInChI=1S/C11H20F3N3O/c1-17(6-8-4-2-3-5-8)7-9(10(15)16-18)11(12,13)14/h8-9,18H,2-7H2,1H3,(H2,15,16)
InChIKeyFGRRBBZZGJWGGW-UHFFFAOYSA-N
XLogP2.03
TPSA61.85 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500267.29
LogP ≤ 52.03
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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-[[cyclopentylmethyl(methyl)amino]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-[[cyclopentylmethyl(methyl)amino]methyl]-3,3,3-trifluoro-N'-hydroxypropanimidamide?
The IUPAC name of 2-[[cyclopentylmethyl(methyl)amino]methyl]-3,3,3-trifluoro-N'-hydroxypropanimidamide (CID 103369434) is 2-[[cyclopentylmethyl(methyl)amino]methyl]-3,3,3-trifluoro-N'-hydroxypropanimidamide.
What is the SMILES notation for 2-[[cyclopentylmethyl(methyl)amino]methyl]-3,3,3-trifluoro-N'-hydroxypropanimidamide?
The canonical SMILES for 2-[[cyclopentylmethyl(methyl)amino]methyl]-3,3,3-trifluoro-N'-hydroxypropanimidamide is CN(CC1CCCC1)CC(C(N)=NO)C(F)(F)F.
What is the InChIKey of 2-[[cyclopentylmethyl(methyl)amino]methyl]-3,3,3-trifluoro-N'-hydroxypropanimidamide?
The InChIKey is FGRRBBZZGJWGGW-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H20F3N3O/c1-17(6-8-4-2-3-5-8)7-9(10(15)16-18)11(12,13)14/h8-9,18H,2-7H2,1H3,(H2,15,16).
What are the key properties of 2-[[cyclopentylmethyl(methyl)amino]methyl]-3,3,3-trifluoro-N'-hydroxypropanimidamide?
2-[[cyclopentylmethyl(methyl)amino]methyl]-3,3,3-trifluoro-N'-hydroxypropanimidamide has a molecular weight of 267.29 g/mol, XLogP of 2.03, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[cyclopentylmethyl(methyl)amino]methyl]-3,3,3-trifluoro-N'-hydroxypropanimidamide is sourced from PubChem (CID 103369434), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).