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

C8H16F3N3 — CID 64566088

IUPAC2-methyl-3-[methyl(3,3,3-trifluoropropyl)amino]propanimidamide
SMILES[H]/N=C(\N)C(C)CN(C)CCC(F)(F)F
InChIInChI=1S/C8H16F3N3/c1-6(7(12)13)5-14(2)4-3-8(9,10)11/h6H,3-5H2,1-2H3,(H3,12,13)
InChIKeyNQUKOJIBMBNRLQ-UHFFFAOYSA-N
MW211.23 g/mol
LogP1.44
Rot. Bonds5

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

2-methyl-3-[methyl(3,3,3-trifluoropropyl)amino]propanimidamide (PubChem CID 64566088) has the molecular formula C8H16F3N3 and a molecular weight of 211.23 g/mol. Its IUPAC name is 2-methyl-3-[methyl(3,3,3-trifluoropropyl)amino]propanimidamide.

Molecular Properties

Compound Name2-methyl-3-[methyl(3,3,3-trifluoropropyl)amino]propanimidamide
PubChem CID64566088
Molecular FormulaC8H16F3N3
Molecular Weight211.23 g/mol
Exact Mass211.13
IUPAC Name2-methyl-3-[methyl(3,3,3-trifluoropropyl)amino]propanimidamide
SMILES[H]/N=C(\N)C(C)CN(C)CCC(F)(F)F
InChIInChI=1S/C8H16F3N3/c1-6(7(12)13)5-14(2)4-3-8(9,10)11/h6H,3-5H2,1-2H3,(H3,12,13)
InChIKeyNQUKOJIBMBNRLQ-UHFFFAOYSA-N
XLogP1.44
TPSA53.11 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500211.23
LogP ≤ 51.44
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 2-methyl-3-[methyl(3,3,3-trifluoropropyl)amino]propanimidamide?
The IUPAC name of 2-methyl-3-[methyl(3,3,3-trifluoropropyl)amino]propanimidamide (CID 64566088) is 2-methyl-3-[methyl(3,3,3-trifluoropropyl)amino]propanimidamide.
What is the SMILES notation for 2-methyl-3-[methyl(3,3,3-trifluoropropyl)amino]propanimidamide?
The canonical SMILES for 2-methyl-3-[methyl(3,3,3-trifluoropropyl)amino]propanimidamide is [H]/N=C(\N)C(C)CN(C)CCC(F)(F)F.
What is the InChIKey of 2-methyl-3-[methyl(3,3,3-trifluoropropyl)amino]propanimidamide?
The InChIKey is NQUKOJIBMBNRLQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H16F3N3/c1-6(7(12)13)5-14(2)4-3-8(9,10)11/h6H,3-5H2,1-2H3,(H3,12,13).
What are the key properties of 2-methyl-3-[methyl(3,3,3-trifluoropropyl)amino]propanimidamide?
2-methyl-3-[methyl(3,3,3-trifluoropropyl)amino]propanimidamide has a molecular weight of 211.23 g/mol, XLogP of 1.44, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-3-[methyl(3,3,3-trifluoropropyl)amino]propanimidamide is sourced from PubChem (CID 64566088), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).