3,3,3-trifluoro-2-[[5-hydroxypentyl(methyl)amino]methyl]propanimidamide

C10H20F3N3O — CID 107200226

IUPAC3,3,3-trifluoro-2-[[5-hydroxypentyl(methyl)amino]methyl]propanimidamide
SMILES[H]/N=C(\N)C(CN(C)CCCCCO)C(F)(F)F
InChIInChI=1S/C10H20F3N3O/c1-16(5-3-2-4-6-17)7-8(9(14)15)10(11,12)13/h8,17H,2-7H2,1H3,(H3,14,15)
InChIKeyKEAPSSKYAVKYFR-UHFFFAOYSA-N
MW255.28 g/mol
LogP1.20
Rot. Bonds8

About 3,3,3-trifluoro-2-[[5-hydroxypentyl(methyl)amino]methyl]propanimidamide

3,3,3-trifluoro-2-[[5-hydroxypentyl(methyl)amino]methyl]propanimidamide (PubChem CID 107200226) has the molecular formula C10H20F3N3O and a molecular weight of 255.28 g/mol. Its IUPAC name is 3,3,3-trifluoro-2-[[5-hydroxypentyl(methyl)amino]methyl]propanimidamide.

Molecular Properties

Compound Name3,3,3-trifluoro-2-[[5-hydroxypentyl(methyl)amino]methyl]propanimidamide
PubChem CID107200226
Molecular FormulaC10H20F3N3O
Molecular Weight255.28 g/mol
Exact Mass255.16
IUPAC Name3,3,3-trifluoro-2-[[5-hydroxypentyl(methyl)amino]methyl]propanimidamide
SMILES[H]/N=C(\N)C(CN(C)CCCCCO)C(F)(F)F
InChIInChI=1S/C10H20F3N3O/c1-16(5-3-2-4-6-17)7-8(9(14)15)10(11,12)13/h8,17H,2-7H2,1H3,(H3,14,15)
InChIKeyKEAPSSKYAVKYFR-UHFFFAOYSA-N
XLogP1.20
TPSA73.34 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500255.28
LogP ≤ 51.20
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'}

Analyze 3,3,3-trifluoro-2-[[5-hydroxypentyl(methyl)amino]methyl]propanimidamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

3,3,3-Trifluoro-2-[[2-(hydroxymethyl)pyrrolidin-1-yl]methyl]propanimidamide
CID 103370609
2-[[Ethyl(3-hydroxypropyl)amino]methyl]-3,3,3-trifluoropropanimidamide
CID 103370823
3,3,3-Trifluoro-2-[[2-(hydroxymethyl)-3-methylpyrrolidin-1-yl]methyl]propanimidamide
CID 103370845
3,3,3-trifluoro-N'-hydroxy-2-[[(5-hydroxy-4-methylpentyl)amino]methyl]propanimidamide
CID 106161743
3,3,3-trifluoro-N'-hydroxy-2-[[5-hydroxypentyl(methyl)amino]methyl]propanimidamide
CID 107200090
3,3,3-trifluoro-N'-hydroxy-2-[(5-hydroxypentylamino)methyl]propanimidamide
CID 107317909
3,3,3-Trifluoro-2-[[3-(hydroxymethyl)piperidin-1-yl]methyl]propanimidamide
CID 113808125
3,3,3-Trifluoro-2-[[(3-hydroxycyclobutyl)methyl-methylamino]methyl]propanimidamide
CID 113808163
3,3,3-Trifluoro-2-[[3-(2-hydroxyethyl)pyrrolidin-1-yl]methyl]propanimidamide
CID 113808180
N'-hydroxy-3-[5-hydroxypentyl(methyl)amino]-2-methylpropanimidamide
CID 107200120
4-[5-Hydroxypentyl(methyl)amino]butanimidamide
CID 107200190
3-[5-Hydroxypentyl(methyl)amino]pentanimidamide
CID 107200191

Frequently Asked Questions

What is the IUPAC name of 3,3,3-trifluoro-2-[[5-hydroxypentyl(methyl)amino]methyl]propanimidamide?
The IUPAC name of 3,3,3-trifluoro-2-[[5-hydroxypentyl(methyl)amino]methyl]propanimidamide (CID 107200226) is 3,3,3-trifluoro-2-[[5-hydroxypentyl(methyl)amino]methyl]propanimidamide.
What is the SMILES notation for 3,3,3-trifluoro-2-[[5-hydroxypentyl(methyl)amino]methyl]propanimidamide?
The canonical SMILES for 3,3,3-trifluoro-2-[[5-hydroxypentyl(methyl)amino]methyl]propanimidamide is [H]/N=C(\N)C(CN(C)CCCCCO)C(F)(F)F.
What is the InChIKey of 3,3,3-trifluoro-2-[[5-hydroxypentyl(methyl)amino]methyl]propanimidamide?
The InChIKey is KEAPSSKYAVKYFR-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H20F3N3O/c1-16(5-3-2-4-6-17)7-8(9(14)15)10(11,12)13/h8,17H,2-7H2,1H3,(H3,14,15).
What are the key properties of 3,3,3-trifluoro-2-[[5-hydroxypentyl(methyl)amino]methyl]propanimidamide?
3,3,3-trifluoro-2-[[5-hydroxypentyl(methyl)amino]methyl]propanimidamide has a molecular weight of 255.28 g/mol, XLogP of 1.20, 8 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3,3,3-trifluoro-2-[[5-hydroxypentyl(methyl)amino]methyl]propanimidamide is sourced from PubChem (CID 107200226), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).