5-[2-hydroxyethyl(2,2,2-trifluoroethyl)amino]pentanimidamide

C9H18F3N3O — CID 107480289

IUPAC5-[2-hydroxyethyl(2,2,2-trifluoroethyl)amino]pentanimidamide
SMILES[H]/N=C(\N)CCCCN(CCO)CC(F)(F)F
InChIInChI=1S/C9H18F3N3O/c10-9(11,12)7-15(5-6-16)4-2-1-3-8(13)14/h16H,1-7H2,(H3,13,14)
InChIKeyQGCQNOAJTXUNPD-UHFFFAOYSA-N
MW241.26 g/mol
LogP0.95
Rot. Bonds8

About 5-[2-hydroxyethyl(2,2,2-trifluoroethyl)amino]pentanimidamide

5-[2-hydroxyethyl(2,2,2-trifluoroethyl)amino]pentanimidamide (PubChem CID 107480289) has the molecular formula C9H18F3N3O and a molecular weight of 241.26 g/mol. Its IUPAC name is 5-[2-hydroxyethyl(2,2,2-trifluoroethyl)amino]pentanimidamide.

Molecular Properties

Compound Name5-[2-hydroxyethyl(2,2,2-trifluoroethyl)amino]pentanimidamide
PubChem CID107480289
Molecular FormulaC9H18F3N3O
Molecular Weight241.26 g/mol
Exact Mass241.14
IUPAC Name5-[2-hydroxyethyl(2,2,2-trifluoroethyl)amino]pentanimidamide
SMILES[H]/N=C(\N)CCCCN(CCO)CC(F)(F)F
InChIInChI=1S/C9H18F3N3O/c10-9(11,12)7-15(5-6-16)4-2-1-3-8(13)14/h16H,1-7H2,(H3,13,14)
InChIKeyQGCQNOAJTXUNPD-UHFFFAOYSA-N
XLogP0.95
TPSA73.34 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500241.26
LogP ≤ 50.95
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

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-hydroxyethyl(propyl)amino]methyl]propanimidamide
CID 103370626
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
2-[[Cyclopentyl(2-hydroxyethyl)amino]methyl]-3,3,3-trifluoropropanimidamide
CID 103370664
5-[2,2-difluoroethyl(2-hydroxyethyl)amino]-N'-hydroxypentanimidamide
CID 107480137
3-[2,2-difluoroethyl(2-hydroxyethyl)amino]-N'-hydroxypentanimidamide
CID 107480153
4-[2,2-difluoroethyl(2-hydroxyethyl)amino]-N'-hydroxybutanimidamide
CID 107480155
N'-hydroxy-5-[2-hydroxyethyl(2,2,2-trifluoroethyl)amino]pentanimidamide
CID 107480165
N'-hydroxy-3-[2-hydroxyethyl(2,2,2-trifluoroethyl)amino]pentanimidamide
CID 107480178
N'-hydroxy-4-[2-hydroxyethyl(2,2,2-trifluoroethyl)amino]butanimidamide
CID 107480181

Frequently Asked Questions

What is the IUPAC name of 5-[2-hydroxyethyl(2,2,2-trifluoroethyl)amino]pentanimidamide?
The IUPAC name of 5-[2-hydroxyethyl(2,2,2-trifluoroethyl)amino]pentanimidamide (CID 107480289) is 5-[2-hydroxyethyl(2,2,2-trifluoroethyl)amino]pentanimidamide.
What is the SMILES notation for 5-[2-hydroxyethyl(2,2,2-trifluoroethyl)amino]pentanimidamide?
The canonical SMILES for 5-[2-hydroxyethyl(2,2,2-trifluoroethyl)amino]pentanimidamide is [H]/N=C(\N)CCCCN(CCO)CC(F)(F)F.
What is the InChIKey of 5-[2-hydroxyethyl(2,2,2-trifluoroethyl)amino]pentanimidamide?
The InChIKey is QGCQNOAJTXUNPD-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H18F3N3O/c10-9(11,12)7-15(5-6-16)4-2-1-3-8(13)14/h16H,1-7H2,(H3,13,14).
What are the key properties of 5-[2-hydroxyethyl(2,2,2-trifluoroethyl)amino]pentanimidamide?
5-[2-hydroxyethyl(2,2,2-trifluoroethyl)amino]pentanimidamide has a molecular weight of 241.26 g/mol, XLogP of 0.95, 8 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[2-hydroxyethyl(2,2,2-trifluoroethyl)amino]pentanimidamide is sourced from PubChem (CID 107480289), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).