2-[[cyclopentyl(2-hydroxyethyl)amino]methyl]-3,3,3-trifluoropropanimidamide

C11H20F3N3O — CID 103370664

IUPAC2-[[cyclopentyl(2-hydroxyethyl)amino]methyl]-3,3,3-trifluoropropanimidamide
SMILES[H]/N=C(\N)C(CN(CCO)C1CCCC1)C(F)(F)F
InChIInChI=1S/C11H20F3N3O/c12-11(13,14)9(10(15)16)7-17(5-6-18)8-3-1-2-4-8/h8-9,18H,1-7H2,(H3,15,16)
InChIKeyZTKUSGVQWWGCEY-UHFFFAOYSA-N
MW267.29 g/mol
LogP1.34
Rot. Bonds6

About 2-[[cyclopentyl(2-hydroxyethyl)amino]methyl]-3,3,3-trifluoropropanimidamide

2-[[cyclopentyl(2-hydroxyethyl)amino]methyl]-3,3,3-trifluoropropanimidamide (PubChem CID 103370664) has the molecular formula C11H20F3N3O and a molecular weight of 267.29 g/mol. Its IUPAC name is 2-[[cyclopentyl(2-hydroxyethyl)amino]methyl]-3,3,3-trifluoropropanimidamide.

Molecular Properties

Compound Name2-[[cyclopentyl(2-hydroxyethyl)amino]methyl]-3,3,3-trifluoropropanimidamide
PubChem CID103370664
Molecular FormulaC11H20F3N3O
Molecular Weight267.29 g/mol
Exact Mass267.16
IUPAC Name2-[[cyclopentyl(2-hydroxyethyl)amino]methyl]-3,3,3-trifluoropropanimidamide
SMILES[H]/N=C(\N)C(CN(CCO)C1CCCC1)C(F)(F)F
InChIInChI=1S/C11H20F3N3O/c12-11(13,14)9(10(15)16)7-17(5-6-18)8-3-1-2-4-8/h8-9,18H,1-7H2,(H3,15,16)
InChIKeyZTKUSGVQWWGCEY-UHFFFAOYSA-N
XLogP1.34
TPSA73.34 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500267.29
LogP ≤ 51.34
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

3,3,3-trifluoro-N'-hydroxy-2-[[2-hydroxyethyl(pentan-3-yl)amino]methyl]propanimidamide
CID 103369341
2-[[cyclohexyl(2-hydroxyethyl)amino]methyl]-3,3,3-trifluoro-N'-hydroxypropanimidamide
CID 103369342
2-[[cyclopentyl(2-hydroxyethyl)amino]methyl]-3,3,3-trifluoro-N'-hydroxypropanimidamide
CID 103369343
2-[[Ethyl(2-hydroxyethyl)amino]methyl]-3,3,3-trifluoropropanimidamide
CID 103370600
2-[[Bis(2-hydroxyethyl)amino]methyl]-3,3,3-trifluoropropanimidamide
CID 103370608
3,3,3-Trifluoro-2-[[2-(hydroxymethyl)pyrrolidin-1-yl]methyl]propanimidamide
CID 103370609
3,3,3-Trifluoro-2-[[2-hydroxyethyl(propyl)amino]methyl]propanimidamide
CID 103370626
3,3,3-Trifluoro-2-[[2-hydroxyethyl(propan-2-yl)amino]methyl]propanimidamide
CID 103370659
2-[[Cyclopropyl(2-hydroxyethyl)amino]methyl]-3,3,3-trifluoropropanimidamide
CID 103370660
3,3,3-Trifluoro-2-[[2-hydroxyethyl(pentan-3-yl)amino]methyl]propanimidamide
CID 103370662
2-[[Cyclohexyl(2-hydroxyethyl)amino]methyl]-3,3,3-trifluoropropanimidamide
CID 103370663
3,3,3-Trifluoro-2-[[1-hydroxypropan-2-yl(methyl)amino]methyl]propanimidamide
CID 103370821

Frequently Asked Questions

What is the IUPAC name of 2-[[cyclopentyl(2-hydroxyethyl)amino]methyl]-3,3,3-trifluoropropanimidamide?
The IUPAC name of 2-[[cyclopentyl(2-hydroxyethyl)amino]methyl]-3,3,3-trifluoropropanimidamide (CID 103370664) is 2-[[cyclopentyl(2-hydroxyethyl)amino]methyl]-3,3,3-trifluoropropanimidamide.
What is the SMILES notation for 2-[[cyclopentyl(2-hydroxyethyl)amino]methyl]-3,3,3-trifluoropropanimidamide?
The canonical SMILES for 2-[[cyclopentyl(2-hydroxyethyl)amino]methyl]-3,3,3-trifluoropropanimidamide is [H]/N=C(\N)C(CN(CCO)C1CCCC1)C(F)(F)F.
What is the InChIKey of 2-[[cyclopentyl(2-hydroxyethyl)amino]methyl]-3,3,3-trifluoropropanimidamide?
The InChIKey is ZTKUSGVQWWGCEY-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H20F3N3O/c12-11(13,14)9(10(15)16)7-17(5-6-18)8-3-1-2-4-8/h8-9,18H,1-7H2,(H3,15,16).
What are the key properties of 2-[[cyclopentyl(2-hydroxyethyl)amino]methyl]-3,3,3-trifluoropropanimidamide?
2-[[cyclopentyl(2-hydroxyethyl)amino]methyl]-3,3,3-trifluoropropanimidamide has a molecular weight of 267.29 g/mol, XLogP of 1.34, 6 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[cyclopentyl(2-hydroxyethyl)amino]methyl]-3,3,3-trifluoropropanimidamide is sourced from PubChem (CID 103370664), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).