N',2,2-trimethyl-N'-[5-(trifluoromethyl)-2-pyridinyl]propane-1,3-diamine

C12H18F3N3 — CID 79652291

IUPACN',2,2-trimethyl-N'-[5-(trifluoromethyl)-2-pyridinyl]propane-1,3-diamine
SMILESCN(CC(C)(C)CN)c1ccc(C(F)(F)F)cn1
InChIInChI=1S/C12H18F3N3/c1-11(2,7-16)8-18(3)10-5-4-9(6-17-10)12(13,14)15/h4-6H,7-8,16H2,1-3H3
InChIKeyAFGMCCRDPVBUSU-UHFFFAOYSA-N
MW261.29 g/mol
LogP2.52
Rot. Bonds4

About N',2,2-trimethyl-N'-[5-(trifluoromethyl)-2-pyridinyl]propane-1,3-diamine

N',2,2-trimethyl-N'-[5-(trifluoromethyl)-2-pyridinyl]propane-1,3-diamine (PubChem CID 79652291) has the molecular formula C12H18F3N3 and a molecular weight of 261.29 g/mol. Its IUPAC name is N',2,2-trimethyl-N'-[5-(trifluoromethyl)-2-pyridinyl]propane-1,3-diamine.

Molecular Properties

Compound NameN',2,2-trimethyl-N'-[5-(trifluoromethyl)-2-pyridinyl]propane-1,3-diamine
PubChem CID79652291
Molecular FormulaC12H18F3N3
Molecular Weight261.29 g/mol
Exact Mass261.15
IUPAC NameN',2,2-trimethyl-N'-[5-(trifluoromethyl)-2-pyridinyl]propane-1,3-diamine
SMILESCN(CC(C)(C)CN)c1ccc(C(F)(F)F)cn1
InChIInChI=1S/C12H18F3N3/c1-11(2,7-16)8-18(3)10-5-4-9(6-17-10)12(13,14)15/h4-6H,7-8,16H2,1-3H3
InChIKeyAFGMCCRDPVBUSU-UHFFFAOYSA-N
XLogP2.52
TPSA42.15 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500261.29
LogP ≤ 52.52
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N',2,2-trimethyl-N'-[5-(trifluoromethyl)-2-pyridinyl]propane-1,3-diamine?
The IUPAC name of N',2,2-trimethyl-N'-[5-(trifluoromethyl)-2-pyridinyl]propane-1,3-diamine (CID 79652291) is N',2,2-trimethyl-N'-[5-(trifluoromethyl)-2-pyridinyl]propane-1,3-diamine.
What is the SMILES notation for N',2,2-trimethyl-N'-[5-(trifluoromethyl)-2-pyridinyl]propane-1,3-diamine?
The canonical SMILES for N',2,2-trimethyl-N'-[5-(trifluoromethyl)-2-pyridinyl]propane-1,3-diamine is CN(CC(C)(C)CN)c1ccc(C(F)(F)F)cn1.
What is the InChIKey of N',2,2-trimethyl-N'-[5-(trifluoromethyl)-2-pyridinyl]propane-1,3-diamine?
The InChIKey is AFGMCCRDPVBUSU-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H18F3N3/c1-11(2,7-16)8-18(3)10-5-4-9(6-17-10)12(13,14)15/h4-6H,7-8,16H2,1-3H3.
What are the key properties of N',2,2-trimethyl-N'-[5-(trifluoromethyl)-2-pyridinyl]propane-1,3-diamine?
N',2,2-trimethyl-N'-[5-(trifluoromethyl)-2-pyridinyl]propane-1,3-diamine has a molecular weight of 261.29 g/mol, XLogP of 2.52, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N',2,2-trimethyl-N'-[5-(trifluoromethyl)-2-pyridinyl]propane-1,3-diamine is sourced from PubChem (CID 79652291), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).