3,3,3-trifluoro-2-[(hexan-3-ylamino)methyl]-N'-hydroxypropanimidamide

C10H20F3N3O — CID 103369675

IUPAC3,3,3-trifluoro-2-[(hexan-3-ylamino)methyl]-N'-hydroxypropanimidamide
SMILESCCCC(CC)NCC(C(N)=NO)C(F)(F)F
InChIInChI=1S/C10H20F3N3O/c1-3-5-7(4-2)15-6-8(9(14)16-17)10(11,12)13/h7-8,15,17H,3-6H2,1-2H3,(H2,14,16)
InChIKeyPHVZLUGTBKNPKF-UHFFFAOYSA-N
MW255.28 g/mol
LogP2.08
Rot. Bonds7

About 3,3,3-trifluoro-2-[(hexan-3-ylamino)methyl]-N'-hydroxypropanimidamide

3,3,3-trifluoro-2-[(hexan-3-ylamino)methyl]-N'-hydroxypropanimidamide (PubChem CID 103369675) has the molecular formula C10H20F3N3O and a molecular weight of 255.28 g/mol. Its IUPAC name is 3,3,3-trifluoro-2-[(hexan-3-ylamino)methyl]-N'-hydroxypropanimidamide.

Molecular Properties

Compound Name3,3,3-trifluoro-2-[(hexan-3-ylamino)methyl]-N'-hydroxypropanimidamide
PubChem CID103369675
Molecular FormulaC10H20F3N3O
Molecular Weight255.28 g/mol
Exact Mass255.16
IUPAC Name3,3,3-trifluoro-2-[(hexan-3-ylamino)methyl]-N'-hydroxypropanimidamide
SMILESCCCC(CC)NCC(C(N)=NO)C(F)(F)F
InChIInChI=1S/C10H20F3N3O/c1-3-5-7(4-2)15-6-8(9(14)16-17)10(11,12)13/h7-8,15,17H,3-6H2,1-2H3,(H2,14,16)
InChIKeyPHVZLUGTBKNPKF-UHFFFAOYSA-N
XLogP2.08
TPSA70.64 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500255.28
LogP ≤ 52.08
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'}, {'alert_name': 'oxime_1', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

Analyze 3,3,3-trifluoro-2-[(hexan-3-ylamino)methyl]-N'-hydroxypropanimidamide with MolForge

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

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 3,3,3-trifluoro-2-[(hexan-3-ylamino)methyl]-N'-hydroxypropanimidamide?
The IUPAC name of 3,3,3-trifluoro-2-[(hexan-3-ylamino)methyl]-N'-hydroxypropanimidamide (CID 103369675) is 3,3,3-trifluoro-2-[(hexan-3-ylamino)methyl]-N'-hydroxypropanimidamide.
What is the SMILES notation for 3,3,3-trifluoro-2-[(hexan-3-ylamino)methyl]-N'-hydroxypropanimidamide?
The canonical SMILES for 3,3,3-trifluoro-2-[(hexan-3-ylamino)methyl]-N'-hydroxypropanimidamide is CCCC(CC)NCC(C(N)=NO)C(F)(F)F.
What is the InChIKey of 3,3,3-trifluoro-2-[(hexan-3-ylamino)methyl]-N'-hydroxypropanimidamide?
The InChIKey is PHVZLUGTBKNPKF-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H20F3N3O/c1-3-5-7(4-2)15-6-8(9(14)16-17)10(11,12)13/h7-8,15,17H,3-6H2,1-2H3,(H2,14,16).
What are the key properties of 3,3,3-trifluoro-2-[(hexan-3-ylamino)methyl]-N'-hydroxypropanimidamide?
3,3,3-trifluoro-2-[(hexan-3-ylamino)methyl]-N'-hydroxypropanimidamide has a molecular weight of 255.28 g/mol, XLogP of 2.08, 7 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-[(hexan-3-ylamino)methyl]-N'-hydroxypropanimidamide is sourced from PubChem (CID 103369675), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).