2-[(2,2-dimethylpyrrolidin-1-yl)methyl]-3,3,3-trifluoropropanimidamide

C10H18F3N3 — CID 103370737

IUPAC2-[(2,2-dimethylpyrrolidin-1-yl)methyl]-3,3,3-trifluoropropanimidamide
SMILES[H]/N=C(\N)C(CN1CCCC1(C)C)C(F)(F)F
InChIInChI=1S/C10H18F3N3/c1-9(2)4-3-5-16(9)6-7(8(14)15)10(11,12)13/h7H,3-6H2,1-2H3,(H3,14,15)
InChIKeyKTWBAVVVPGNPHY-UHFFFAOYSA-N
MW237.27 g/mol
LogP1.98
Rot. Bonds3

About 2-[(2,2-dimethylpyrrolidin-1-yl)methyl]-3,3,3-trifluoropropanimidamide

2-[(2,2-dimethylpyrrolidin-1-yl)methyl]-3,3,3-trifluoropropanimidamide (PubChem CID 103370737) has the molecular formula C10H18F3N3 and a molecular weight of 237.27 g/mol. Its IUPAC name is 2-[(2,2-dimethylpyrrolidin-1-yl)methyl]-3,3,3-trifluoropropanimidamide.

Molecular Properties

Compound Name2-[(2,2-dimethylpyrrolidin-1-yl)methyl]-3,3,3-trifluoropropanimidamide
PubChem CID103370737
Molecular FormulaC10H18F3N3
Molecular Weight237.27 g/mol
Exact Mass237.15
IUPAC Name2-[(2,2-dimethylpyrrolidin-1-yl)methyl]-3,3,3-trifluoropropanimidamide
SMILES[H]/N=C(\N)C(CN1CCCC1(C)C)C(F)(F)F
InChIInChI=1S/C10H18F3N3/c1-9(2)4-3-5-16(9)6-7(8(14)15)10(11,12)13/h7H,3-6H2,1-2H3,(H3,14,15)
InChIKeyKTWBAVVVPGNPHY-UHFFFAOYSA-N
XLogP1.98
TPSA53.11 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500237.27
LogP ≤ 51.98
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-[(2,2-dimethylpyrrolidin-1-yl)methyl]-3,3,3-trifluoropropanimidamide?
The IUPAC name of 2-[(2,2-dimethylpyrrolidin-1-yl)methyl]-3,3,3-trifluoropropanimidamide (CID 103370737) is 2-[(2,2-dimethylpyrrolidin-1-yl)methyl]-3,3,3-trifluoropropanimidamide.
What is the SMILES notation for 2-[(2,2-dimethylpyrrolidin-1-yl)methyl]-3,3,3-trifluoropropanimidamide?
The canonical SMILES for 2-[(2,2-dimethylpyrrolidin-1-yl)methyl]-3,3,3-trifluoropropanimidamide is [H]/N=C(\N)C(CN1CCCC1(C)C)C(F)(F)F.
What is the InChIKey of 2-[(2,2-dimethylpyrrolidin-1-yl)methyl]-3,3,3-trifluoropropanimidamide?
The InChIKey is KTWBAVVVPGNPHY-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H18F3N3/c1-9(2)4-3-5-16(9)6-7(8(14)15)10(11,12)13/h7H,3-6H2,1-2H3,(H3,14,15).
What are the key properties of 2-[(2,2-dimethylpyrrolidin-1-yl)methyl]-3,3,3-trifluoropropanimidamide?
2-[(2,2-dimethylpyrrolidin-1-yl)methyl]-3,3,3-trifluoropropanimidamide has a molecular weight of 237.27 g/mol, XLogP of 1.98, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(2,2-dimethylpyrrolidin-1-yl)methyl]-3,3,3-trifluoropropanimidamide is sourced from PubChem (CID 103370737), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).