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

C12H22F3N3O — CID 103370663

IUPAC2-[[cyclohexyl(2-hydroxyethyl)amino]methyl]-3,3,3-trifluoropropanimidamide
SMILES[H]/N=C(\N)C(CN(CCO)C1CCCCC1)C(F)(F)F
InChIInChI=1S/C12H22F3N3O/c13-12(14,15)10(11(16)17)8-18(6-7-19)9-4-2-1-3-5-9/h9-10,19H,1-8H2,(H3,16,17)
InChIKeyPSGKYFGHAQSAAD-UHFFFAOYSA-N
MW281.32 g/mol
LogP1.73
Rot. Bonds6

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

2-[[cyclohexyl(2-hydroxyethyl)amino]methyl]-3,3,3-trifluoropropanimidamide (PubChem CID 103370663) has the molecular formula C12H22F3N3O and a molecular weight of 281.32 g/mol. Its IUPAC name is 2-[[cyclohexyl(2-hydroxyethyl)amino]methyl]-3,3,3-trifluoropropanimidamide.

Molecular Properties

Compound Name2-[[cyclohexyl(2-hydroxyethyl)amino]methyl]-3,3,3-trifluoropropanimidamide
PubChem CID103370663
Molecular FormulaC12H22F3N3O
Molecular Weight281.32 g/mol
Exact Mass281.17
IUPAC Name2-[[cyclohexyl(2-hydroxyethyl)amino]methyl]-3,3,3-trifluoropropanimidamide
SMILES[H]/N=C(\N)C(CN(CCO)C1CCCCC1)C(F)(F)F
InChIInChI=1S/C12H22F3N3O/c13-12(14,15)10(11(16)17)8-18(6-7-19)9-4-2-1-3-5-9/h9-10,19H,1-8H2,(H3,16,17)
InChIKeyPSGKYFGHAQSAAD-UHFFFAOYSA-N
XLogP1.73
TPSA73.34 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500281.32
LogP ≤ 51.73
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-[[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
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-[[Cyclopentyl(2-hydroxyethyl)amino]methyl]-3,3,3-trifluoropropanimidamide
CID 103370664
3,3,3-Trifluoro-2-[[1-hydroxypropan-2-yl(methyl)amino]methyl]propanimidamide
CID 103370821
3-[2,2-Difluoroethyl(2-hydroxyethyl)amino]pentanimidamide
CID 107480259
5-[2,2-Difluoroethyl(2-hydroxyethyl)amino]pentanimidamide
CID 107480261
3-[2,2-Difluoroethyl(2-hydroxyethyl)amino]butanimidamide
CID 107480272
3-[2-Hydroxyethyl(2,2,2-trifluoroethyl)amino]pentanimidamide
CID 107480287
5-[2-Hydroxyethyl(2,2,2-trifluoroethyl)amino]pentanimidamide
CID 107480289

Frequently Asked Questions

What is the IUPAC name of 2-[[cyclohexyl(2-hydroxyethyl)amino]methyl]-3,3,3-trifluoropropanimidamide?
The IUPAC name of 2-[[cyclohexyl(2-hydroxyethyl)amino]methyl]-3,3,3-trifluoropropanimidamide (CID 103370663) is 2-[[cyclohexyl(2-hydroxyethyl)amino]methyl]-3,3,3-trifluoropropanimidamide.
What is the SMILES notation for 2-[[cyclohexyl(2-hydroxyethyl)amino]methyl]-3,3,3-trifluoropropanimidamide?
The canonical SMILES for 2-[[cyclohexyl(2-hydroxyethyl)amino]methyl]-3,3,3-trifluoropropanimidamide is [H]/N=C(\N)C(CN(CCO)C1CCCCC1)C(F)(F)F.
What is the InChIKey of 2-[[cyclohexyl(2-hydroxyethyl)amino]methyl]-3,3,3-trifluoropropanimidamide?
The InChIKey is PSGKYFGHAQSAAD-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H22F3N3O/c13-12(14,15)10(11(16)17)8-18(6-7-19)9-4-2-1-3-5-9/h9-10,19H,1-8H2,(H3,16,17).
What are the key properties of 2-[[cyclohexyl(2-hydroxyethyl)amino]methyl]-3,3,3-trifluoropropanimidamide?
2-[[cyclohexyl(2-hydroxyethyl)amino]methyl]-3,3,3-trifluoropropanimidamide has a molecular weight of 281.32 g/mol, XLogP of 1.73, 6 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[cyclohexyl(2-hydroxyethyl)amino]methyl]-3,3,3-trifluoropropanimidamide is sourced from PubChem (CID 103370663), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).