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

C12H18F3N3 — CID 54942856

IUPAC2-N,2-N,2-trimethyl-1-N-[3-(trifluoromethyl)-2-pyridinyl]propane-1,2-diamine
SMILESCN(C)C(C)(C)CNc1ncccc1C(F)(F)F
InChIInChI=1S/C12H18F3N3/c1-11(2,18(3)4)8-17-10-9(12(13,14)15)6-5-7-16-10/h5-7H,8H2,1-4H3,(H,16,17)
InChIKeyXZNDHZVZHLLINU-UHFFFAOYSA-N
MW261.29 g/mol
LogP2.85
Rot. Bonds4

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

2-N,2-N,2-trimethyl-1-N-[3-(trifluoromethyl)-2-pyridinyl]propane-1,2-diamine (PubChem CID 54942856) has the molecular formula C12H18F3N3 and a molecular weight of 261.29 g/mol. Its IUPAC name is 2-N,2-N,2-trimethyl-1-N-[3-(trifluoromethyl)-2-pyridinyl]propane-1,2-diamine.

Molecular Properties

Compound Name2-N,2-N,2-trimethyl-1-N-[3-(trifluoromethyl)-2-pyridinyl]propane-1,2-diamine
PubChem CID54942856
Molecular FormulaC12H18F3N3
Molecular Weight261.29 g/mol
Exact Mass261.15
IUPAC Name2-N,2-N,2-trimethyl-1-N-[3-(trifluoromethyl)-2-pyridinyl]propane-1,2-diamine
SMILESCN(C)C(C)(C)CNc1ncccc1C(F)(F)F
InChIInChI=1S/C12H18F3N3/c1-11(2,18(3)4)8-17-10-9(12(13,14)15)6-5-7-16-10/h5-7H,8H2,1-4H3,(H,16,17)
InChIKeyXZNDHZVZHLLINU-UHFFFAOYSA-N
XLogP2.85
TPSA28.16 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 ≤ 52.85
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-ethyl-3-(trifluoromethyl)pyridin-2-amine
CID 23541253
N-(2-methyl-2-phenylpropyl)-3-(trifluoromethyl)pyridin-2-amine
CID 63541640
3-(trifluoromethyl)-N-(3,3,3-trifluoropropyl)pyridin-2-amine
CID 63226841
N'-[3-(trifluoromethyl)-2-pyridinyl]ethane-1,2-diamine
CID 23293787
2,4-dimethyl-1-[[3-(trifluoromethyl)-2-pyridinyl]amino]pentan-2-ol
CID 66180973
N-[(E)-pent-3-enyl]-3-(trifluoromethyl)pyridin-2-amine
CID 115628581
2-methyl-2-[[3-(trifluoromethyl)-2-pyridinyl]amino]propanoic acid
CID 61266117
N-pent-4-ynyl-3-(trifluoromethyl)pyridin-2-amine
CID 103704435
N-[(3-methyl-1,2,4-oxadiazol-5-yl)methyl]-3-(trifluoromethyl)pyridin-2-amine
CID 54903289
N-(3,3-dimethylbutan-2-yl)-3-(trifluoromethyl)pyridin-2-amine
CID 104828787
3-methyl-2-[[[3-(trifluoromethyl)-2-pyridinyl]amino]methyl]butanoic acid
CID 65226846
N-[(4-methylcyclohexyl)methyl]-3-(trifluoromethyl)pyridin-2-amine
CID 63539836

Frequently Asked Questions

What is the IUPAC name of 2-N,2-N,2-trimethyl-1-N-[3-(trifluoromethyl)-2-pyridinyl]propane-1,2-diamine?
The IUPAC name of 2-N,2-N,2-trimethyl-1-N-[3-(trifluoromethyl)-2-pyridinyl]propane-1,2-diamine (CID 54942856) is 2-N,2-N,2-trimethyl-1-N-[3-(trifluoromethyl)-2-pyridinyl]propane-1,2-diamine.
What is the SMILES notation for 2-N,2-N,2-trimethyl-1-N-[3-(trifluoromethyl)-2-pyridinyl]propane-1,2-diamine?
The canonical SMILES for 2-N,2-N,2-trimethyl-1-N-[3-(trifluoromethyl)-2-pyridinyl]propane-1,2-diamine is CN(C)C(C)(C)CNc1ncccc1C(F)(F)F.
What is the InChIKey of 2-N,2-N,2-trimethyl-1-N-[3-(trifluoromethyl)-2-pyridinyl]propane-1,2-diamine?
The InChIKey is XZNDHZVZHLLINU-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H18F3N3/c1-11(2,18(3)4)8-17-10-9(12(13,14)15)6-5-7-16-10/h5-7H,8H2,1-4H3,(H,16,17).
What are the key properties of 2-N,2-N,2-trimethyl-1-N-[3-(trifluoromethyl)-2-pyridinyl]propane-1,2-diamine?
2-N,2-N,2-trimethyl-1-N-[3-(trifluoromethyl)-2-pyridinyl]propane-1,2-diamine has a molecular weight of 261.29 g/mol, XLogP of 2.85, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-N,2-N,2-trimethyl-1-N-[3-(trifluoromethyl)-2-pyridinyl]propane-1,2-diamine is sourced from PubChem (CID 54942856), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).