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

C11H22F3N3O — CID 107480309

IUPAC5-[2-hydroxyethyl(2,2,2-trifluoroethyl)amino]-2,2-dimethylpentanimidamide
SMILES[H]/N=C(\N)C(C)(C)CCCN(CCO)CC(F)(F)F
InChIInChI=1S/C11H22F3N3O/c1-10(2,9(15)16)4-3-5-17(6-7-18)8-11(12,13)14/h18H,3-8H2,1-2H3,(H3,15,16)
InChIKeyHPDCHVZJCQVYHG-UHFFFAOYSA-N
MW269.31 g/mol
LogP1.59
Rot. Bonds8

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

5-[2-hydroxyethyl(2,2,2-trifluoroethyl)amino]-2,2-dimethylpentanimidamide (PubChem CID 107480309) has the molecular formula C11H22F3N3O and a molecular weight of 269.31 g/mol. Its IUPAC name is 5-[2-hydroxyethyl(2,2,2-trifluoroethyl)amino]-2,2-dimethylpentanimidamide.

Molecular Properties

Compound Name5-[2-hydroxyethyl(2,2,2-trifluoroethyl)amino]-2,2-dimethylpentanimidamide
PubChem CID107480309
Molecular FormulaC11H22F3N3O
Molecular Weight269.31 g/mol
Exact Mass269.17
IUPAC Name5-[2-hydroxyethyl(2,2,2-trifluoroethyl)amino]-2,2-dimethylpentanimidamide
SMILES[H]/N=C(\N)C(C)(C)CCCN(CCO)CC(F)(F)F
InChIInChI=1S/C11H22F3N3O/c1-10(2,9(15)16)4-3-5-17(6-7-18)8-11(12,13)14/h18H,3-8H2,1-2H3,(H3,15,16)
InChIKeyHPDCHVZJCQVYHG-UHFFFAOYSA-N
XLogP1.59
TPSA73.34 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500269.31
LogP ≤ 51.59
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

2-[(5-Amino-4,4-dimethylpentyl)-(2,2-difluoroethyl)amino]ethanol
CID 107478888
2-[(5-Amino-4,4-dimethylpentyl)-(2,2,2-trifluoroethyl)amino]ethanol
CID 107478939
6-[2,2-difluoroethyl(2-hydroxyethyl)amino]-N'-hydroxy-2,2-dimethylhexanimidamide
CID 107480135
4-[2,2-difluoroethyl(2-hydroxyethyl)amino]-N'-hydroxy-2,2-dimethylbutanimidamide
CID 107480139
N'-hydroxy-6-[2-hydroxyethyl(2,2,2-trifluoroethyl)amino]-2,2-dimethylhexanimidamide
CID 107480163
N'-hydroxy-5-[2-hydroxyethyl(2,2,2-trifluoroethyl)amino]-2,2-dimethylpentanimidamide
CID 107480179
5-[2,2-Difluoroethyl(2-hydroxyethyl)amino]pentanimidamide
CID 107480261
4-[2,2-Difluoroethyl(2-hydroxyethyl)amino]-2,2-dimethylbutanimidamide
CID 107480278
2-[1-[[2,2-Difluoroethyl(2-hydroxyethyl)amino]methyl]cyclopropyl]ethanimidamide
CID 107480282
5-[2-Hydroxyethyl(2,2,2-trifluoroethyl)amino]pentanimidamide
CID 107480289
6-[2-Hydroxyethyl(2,2,2-trifluoroethyl)amino]-2,2-dimethylhexanimidamide
CID 107480302
5-[2,2-difluoroethyl(2-hydroxyethyl)amino]-N'-hydroxy-2,2-dimethylpentanimidamide
CID 113964376

Frequently Asked Questions

What is the IUPAC name of 5-[2-hydroxyethyl(2,2,2-trifluoroethyl)amino]-2,2-dimethylpentanimidamide?
The IUPAC name of 5-[2-hydroxyethyl(2,2,2-trifluoroethyl)amino]-2,2-dimethylpentanimidamide (CID 107480309) is 5-[2-hydroxyethyl(2,2,2-trifluoroethyl)amino]-2,2-dimethylpentanimidamide.
What is the SMILES notation for 5-[2-hydroxyethyl(2,2,2-trifluoroethyl)amino]-2,2-dimethylpentanimidamide?
The canonical SMILES for 5-[2-hydroxyethyl(2,2,2-trifluoroethyl)amino]-2,2-dimethylpentanimidamide is [H]/N=C(\N)C(C)(C)CCCN(CCO)CC(F)(F)F.
What is the InChIKey of 5-[2-hydroxyethyl(2,2,2-trifluoroethyl)amino]-2,2-dimethylpentanimidamide?
The InChIKey is HPDCHVZJCQVYHG-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H22F3N3O/c1-10(2,9(15)16)4-3-5-17(6-7-18)8-11(12,13)14/h18H,3-8H2,1-2H3,(H3,15,16).
What are the key properties of 5-[2-hydroxyethyl(2,2,2-trifluoroethyl)amino]-2,2-dimethylpentanimidamide?
5-[2-hydroxyethyl(2,2,2-trifluoroethyl)amino]-2,2-dimethylpentanimidamide has a molecular weight of 269.31 g/mol, XLogP of 1.59, 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]-2,2-dimethylpentanimidamide is sourced from PubChem (CID 107480309), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).