3-[methyl(3,3,3-trifluoropropyl)amino]propanimidamide

C7H14F3N3 — CID 64565885

IUPAC3-[methyl(3,3,3-trifluoropropyl)amino]propanimidamide
SMILES[H]/N=C(\N)CCN(C)CCC(F)(F)F
InChIInChI=1S/C7H14F3N3/c1-13(4-2-6(11)12)5-3-7(8,9)10/h2-5H2,1H3,(H3,11,12)
InChIKeyOLKFIDGEUOOXFW-UHFFFAOYSA-N
MW197.20 g/mol
LogP1.20
Rot. Bonds5

About 3-[methyl(3,3,3-trifluoropropyl)amino]propanimidamide

3-[methyl(3,3,3-trifluoropropyl)amino]propanimidamide (PubChem CID 64565885) has the molecular formula C7H14F3N3 and a molecular weight of 197.20 g/mol. Its IUPAC name is 3-[methyl(3,3,3-trifluoropropyl)amino]propanimidamide.

Molecular Properties

Compound Name3-[methyl(3,3,3-trifluoropropyl)amino]propanimidamide
PubChem CID64565885
Molecular FormulaC7H14F3N3
Molecular Weight197.20 g/mol
Exact Mass197.11
IUPAC Name3-[methyl(3,3,3-trifluoropropyl)amino]propanimidamide
SMILES[H]/N=C(\N)CCN(C)CCC(F)(F)F
InChIInChI=1S/C7H14F3N3/c1-13(4-2-6(11)12)5-3-7(8,9)10/h2-5H2,1H3,(H3,11,12)
InChIKeyOLKFIDGEUOOXFW-UHFFFAOYSA-N
XLogP1.20
TPSA53.11 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500197.20
LogP ≤ 51.20
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'imine_2', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 3-[methyl(3,3,3-trifluoropropyl)amino]propanimidamide?
The IUPAC name of 3-[methyl(3,3,3-trifluoropropyl)amino]propanimidamide (CID 64565885) is 3-[methyl(3,3,3-trifluoropropyl)amino]propanimidamide.
What is the SMILES notation for 3-[methyl(3,3,3-trifluoropropyl)amino]propanimidamide?
The canonical SMILES for 3-[methyl(3,3,3-trifluoropropyl)amino]propanimidamide is [H]/N=C(\N)CCN(C)CCC(F)(F)F.
What is the InChIKey of 3-[methyl(3,3,3-trifluoropropyl)amino]propanimidamide?
The InChIKey is OLKFIDGEUOOXFW-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H14F3N3/c1-13(4-2-6(11)12)5-3-7(8,9)10/h2-5H2,1H3,(H3,11,12).
What are the key properties of 3-[methyl(3,3,3-trifluoropropyl)amino]propanimidamide?
3-[methyl(3,3,3-trifluoropropyl)amino]propanimidamide has a molecular weight of 197.20 g/mol, XLogP of 1.20, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[methyl(3,3,3-trifluoropropyl)amino]propanimidamide is sourced from PubChem (CID 64565885), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).