2-cyclopropyl-2-N-[6-(trifluoromethyl)-2-pyridinyl]propane-1,2-diamine

C12H16F3N3 — CID 113283580

IUPAC2-cyclopropyl-2-N-[6-(trifluoromethyl)-2-pyridinyl]propane-1,2-diamine
SMILESCC(CN)(Nc1cccc(C(F)(F)F)n1)C1CC1
InChIInChI=1S/C12H16F3N3/c1-11(7-16,8-5-6-8)18-10-4-2-3-9(17-10)12(13,14)15/h2-4,8H,5-7,16H2,1H3,(H,17,18)
InChIKeyDEJZXBVRVZLPGR-UHFFFAOYSA-N
MW259.27 g/mol
LogP2.64
Rot. Bonds4

About 2-cyclopropyl-2-N-[6-(trifluoromethyl)-2-pyridinyl]propane-1,2-diamine

2-cyclopropyl-2-N-[6-(trifluoromethyl)-2-pyridinyl]propane-1,2-diamine (PubChem CID 113283580) has the molecular formula C12H16F3N3 and a molecular weight of 259.27 g/mol. Its IUPAC name is 2-cyclopropyl-2-N-[6-(trifluoromethyl)-2-pyridinyl]propane-1,2-diamine.

Molecular Properties

Compound Name2-cyclopropyl-2-N-[6-(trifluoromethyl)-2-pyridinyl]propane-1,2-diamine
PubChem CID113283580
Molecular FormulaC12H16F3N3
Molecular Weight259.27 g/mol
Exact Mass259.13
IUPAC Name2-cyclopropyl-2-N-[6-(trifluoromethyl)-2-pyridinyl]propane-1,2-diamine
SMILESCC(CN)(Nc1cccc(C(F)(F)F)n1)C1CC1
InChIInChI=1S/C12H16F3N3/c1-11(7-16,8-5-6-8)18-10-4-2-3-9(17-10)12(13,14)15/h2-4,8H,5-7,16H2,1H3,(H,17,18)
InChIKeyDEJZXBVRVZLPGR-UHFFFAOYSA-N
XLogP2.64
TPSA50.94 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500259.27
LogP ≤ 52.64
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-cyclopropyl-2-N-[6-(trifluoromethyl)-2-pyridinyl]propane-1,2-diamine?
The IUPAC name of 2-cyclopropyl-2-N-[6-(trifluoromethyl)-2-pyridinyl]propane-1,2-diamine (CID 113283580) is 2-cyclopropyl-2-N-[6-(trifluoromethyl)-2-pyridinyl]propane-1,2-diamine.
What is the SMILES notation for 2-cyclopropyl-2-N-[6-(trifluoromethyl)-2-pyridinyl]propane-1,2-diamine?
The canonical SMILES for 2-cyclopropyl-2-N-[6-(trifluoromethyl)-2-pyridinyl]propane-1,2-diamine is CC(CN)(Nc1cccc(C(F)(F)F)n1)C1CC1.
What is the InChIKey of 2-cyclopropyl-2-N-[6-(trifluoromethyl)-2-pyridinyl]propane-1,2-diamine?
The InChIKey is DEJZXBVRVZLPGR-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16F3N3/c1-11(7-16,8-5-6-8)18-10-4-2-3-9(17-10)12(13,14)15/h2-4,8H,5-7,16H2,1H3,(H,17,18).
What are the key properties of 2-cyclopropyl-2-N-[6-(trifluoromethyl)-2-pyridinyl]propane-1,2-diamine?
2-cyclopropyl-2-N-[6-(trifluoromethyl)-2-pyridinyl]propane-1,2-diamine has a molecular weight of 259.27 g/mol, XLogP of 2.64, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-cyclopropyl-2-N-[6-(trifluoromethyl)-2-pyridinyl]propane-1,2-diamine is sourced from PubChem (CID 113283580), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).