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

C9H18F3N3O — CID 103370722

IUPAC3,3,3-trifluoro-2-[[3-methoxypropyl(methyl)amino]methyl]propanimidamide
SMILES[H]/N=C(\N)C(CN(C)CCCOC)C(F)(F)F
InChIInChI=1S/C9H18F3N3O/c1-15(4-3-5-16-2)6-7(8(13)14)9(10,11)12/h7H,3-6H2,1-2H3,(H3,13,14)
InChIKeyHTFLBTDRDOZPFQ-UHFFFAOYSA-N
MW241.26 g/mol
LogP1.07
Rot. Bonds7

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

3,3,3-trifluoro-2-[[3-methoxypropyl(methyl)amino]methyl]propanimidamide (PubChem CID 103370722) has the molecular formula C9H18F3N3O and a molecular weight of 241.26 g/mol. Its IUPAC name is 3,3,3-trifluoro-2-[[3-methoxypropyl(methyl)amino]methyl]propanimidamide.

Molecular Properties

Compound Name3,3,3-trifluoro-2-[[3-methoxypropyl(methyl)amino]methyl]propanimidamide
PubChem CID103370722
Molecular FormulaC9H18F3N3O
Molecular Weight241.26 g/mol
Exact Mass241.14
IUPAC Name3,3,3-trifluoro-2-[[3-methoxypropyl(methyl)amino]methyl]propanimidamide
SMILES[H]/N=C(\N)C(CN(C)CCCOC)C(F)(F)F
InChIInChI=1S/C9H18F3N3O/c1-15(4-3-5-16-2)6-7(8(13)14)9(10,11)12/h7H,3-6H2,1-2H3,(H3,13,14)
InChIKeyHTFLBTDRDOZPFQ-UHFFFAOYSA-N
XLogP1.07
TPSA62.34 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500241.26
LogP ≤ 51.07
H-Bond Donors ≤ 52
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-methoxyethyl)amino]methyl]-3,3,3-trifluoropropanimidamide
CID 103370643
3,3,3-trifluoro-2-[[methyl(2-pyridin-2-ylethyl)amino]methyl]propanimidamide
CID 103370556
3,3,3-trifluoro-2-[[(2-methoxyphenyl)methyl-methylamino]methyl]propanimidamide
CID 103370622
3,3,3-trifluoro-2-(1-methoxypropan-2-yloxymethyl)propanimidamide
CID 103371059
2-amino-3-[3-methoxypropyl(methyl)amino]propanamide
CID 63009708
3,3,3-trifluoro-2-[(N-methylanilino)methyl]propanimidamide
CID 103370527
3,3,3-trifluoro-2-[(3-methoxy-N-methylanilino)methyl]propanimidamide
CID 103370690
2-[[(1-ethylpyrrolidin-2-yl)methyl-methylamino]methyl]-3,3,3-trifluoropropanimidamide
CID 103370782
3,3,3-trifluoro-2-[[methyl-(3-methylcyclohexyl)amino]methyl]propanimidamide
CID 103370642
2-[[cyclopropylmethyl(propyl)amino]methyl]-3,3,3-trifluoropropanimidamide
CID 103370638
3,3,3-trifluoro-2-[[methyl(2-propan-2-yloxyethyl)amino]methyl]propanethioamide
CID 103368794
3,3,3-trifluoro-2-[(3-fluoro-N-methylanilino)methyl]propanimidamide
CID 103370699

Frequently Asked Questions

What is the IUPAC name of 3,3,3-trifluoro-2-[[3-methoxypropyl(methyl)amino]methyl]propanimidamide?
The IUPAC name of 3,3,3-trifluoro-2-[[3-methoxypropyl(methyl)amino]methyl]propanimidamide (CID 103370722) is 3,3,3-trifluoro-2-[[3-methoxypropyl(methyl)amino]methyl]propanimidamide.
What is the SMILES notation for 3,3,3-trifluoro-2-[[3-methoxypropyl(methyl)amino]methyl]propanimidamide?
The canonical SMILES for 3,3,3-trifluoro-2-[[3-methoxypropyl(methyl)amino]methyl]propanimidamide is [H]/N=C(\N)C(CN(C)CCCOC)C(F)(F)F.
What is the InChIKey of 3,3,3-trifluoro-2-[[3-methoxypropyl(methyl)amino]methyl]propanimidamide?
The InChIKey is HTFLBTDRDOZPFQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H18F3N3O/c1-15(4-3-5-16-2)6-7(8(13)14)9(10,11)12/h7H,3-6H2,1-2H3,(H3,13,14).
What are the key properties of 3,3,3-trifluoro-2-[[3-methoxypropyl(methyl)amino]methyl]propanimidamide?
3,3,3-trifluoro-2-[[3-methoxypropyl(methyl)amino]methyl]propanimidamide has a molecular weight of 241.26 g/mol, XLogP of 1.07, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3,3,3-trifluoro-2-[[3-methoxypropyl(methyl)amino]methyl]propanimidamide is sourced from PubChem (CID 103370722), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).