3-(1,1-difluoroethyl)-5-[dimethylamino(methyl)amino]cyclopenta-1,3,4-trien-1-amine

C10H15F2N3 — CID 176546175

IUPAC3-(1,1-difluoroethyl)-5-[dimethylamino(methyl)amino]cyclopenta-1,3,4-trien-1-amine
SMILESCN(C)N(C)C1=C=C(C(C)(F)F)C=C1N
InChIInChI=1S/C10H15F2N3/c1-10(11,12)7-5-8(13)9(6-7)15(4)14(2)3/h5H,13H2,1-4H3
InChIKeyDGJDRKIHPMAHGV-UHFFFAOYSA-N
MW215.25 g/mol
LogP1.32
Rot. Bonds3

About 3-(1,1-difluoroethyl)-5-[dimethylamino(methyl)amino]cyclopenta-1,3,4-trien-1-amine

3-(1,1-difluoroethyl)-5-[dimethylamino(methyl)amino]cyclopenta-1,3,4-trien-1-amine (PubChem CID 176546175) has the molecular formula C10H15F2N3 and a molecular weight of 215.25 g/mol. Its IUPAC name is 3-(1,1-difluoroethyl)-5-[dimethylamino(methyl)amino]cyclopenta-1,3,4-trien-1-amine.

Molecular Properties

Compound Name3-(1,1-difluoroethyl)-5-[dimethylamino(methyl)amino]cyclopenta-1,3,4-trien-1-amine
PubChem CID176546175
Molecular FormulaC10H15F2N3
Molecular Weight215.25 g/mol
Exact Mass215.12
IUPAC Name3-(1,1-difluoroethyl)-5-[dimethylamino(methyl)amino]cyclopenta-1,3,4-trien-1-amine
SMILESCN(C)N(C)C1=C=C(C(C)(F)F)C=C1N
InChIInChI=1S/C10H15F2N3/c1-10(11,12)7-5-8(13)9(6-7)15(4)14(2)3/h5H,13H2,1-4H3
InChIKeyDGJDRKIHPMAHGV-UHFFFAOYSA-N
XLogP1.32
TPSA32.50 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500215.25
LogP ≤ 51.32
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 3-(1,1-difluoroethyl)-5-[dimethylamino(methyl)amino]cyclopenta-1,3,4-trien-1-amine?
The IUPAC name of 3-(1,1-difluoroethyl)-5-[dimethylamino(methyl)amino]cyclopenta-1,3,4-trien-1-amine (CID 176546175) is 3-(1,1-difluoroethyl)-5-[dimethylamino(methyl)amino]cyclopenta-1,3,4-trien-1-amine.
What is the SMILES notation for 3-(1,1-difluoroethyl)-5-[dimethylamino(methyl)amino]cyclopenta-1,3,4-trien-1-amine?
The canonical SMILES for 3-(1,1-difluoroethyl)-5-[dimethylamino(methyl)amino]cyclopenta-1,3,4-trien-1-amine is CN(C)N(C)C1=C=C(C(C)(F)F)C=C1N.
What is the InChIKey of 3-(1,1-difluoroethyl)-5-[dimethylamino(methyl)amino]cyclopenta-1,3,4-trien-1-amine?
The InChIKey is DGJDRKIHPMAHGV-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H15F2N3/c1-10(11,12)7-5-8(13)9(6-7)15(4)14(2)3/h5H,13H2,1-4H3.
What are the key properties of 3-(1,1-difluoroethyl)-5-[dimethylamino(methyl)amino]cyclopenta-1,3,4-trien-1-amine?
3-(1,1-difluoroethyl)-5-[dimethylamino(methyl)amino]cyclopenta-1,3,4-trien-1-amine has a molecular weight of 215.25 g/mol, XLogP of 1.32, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(1,1-difluoroethyl)-5-[dimethylamino(methyl)amino]cyclopenta-1,3,4-trien-1-amine is sourced from PubChem (CID 176546175), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).