4-N-[(1-methylcyclobutyl)methyl]-6-(trifluoromethyl)pyridine-3,4-diamine

C12H16F3N3 — CID 114107351

IUPAC4-N-[(1-methylcyclobutyl)methyl]-6-(trifluoromethyl)pyridine-3,4-diamine
SMILESCC1(CNc2cc(C(F)(F)F)ncc2N)CCC1
InChIInChI=1S/C12H16F3N3/c1-11(3-2-4-11)7-18-9-5-10(12(13,14)15)17-6-8(9)16/h5-6H,2-4,7,16H2,1H3,(H,17,18)
InChIKeyAIAUKWLHWPQBGC-UHFFFAOYSA-N
MW259.27 g/mol
LogP3.28
Rot. Bonds3

About 4-N-[(1-methylcyclobutyl)methyl]-6-(trifluoromethyl)pyridine-3,4-diamine

4-N-[(1-methylcyclobutyl)methyl]-6-(trifluoromethyl)pyridine-3,4-diamine (PubChem CID 114107351) has the molecular formula C12H16F3N3 and a molecular weight of 259.27 g/mol. Its IUPAC name is 4-N-[(1-methylcyclobutyl)methyl]-6-(trifluoromethyl)pyridine-3,4-diamine.

Molecular Properties

Compound Name4-N-[(1-methylcyclobutyl)methyl]-6-(trifluoromethyl)pyridine-3,4-diamine
PubChem CID114107351
Molecular FormulaC12H16F3N3
Molecular Weight259.27 g/mol
Exact Mass259.13
IUPAC Name4-N-[(1-methylcyclobutyl)methyl]-6-(trifluoromethyl)pyridine-3,4-diamine
SMILESCC1(CNc2cc(C(F)(F)F)ncc2N)CCC1
InChIInChI=1S/C12H16F3N3/c1-11(3-2-4-11)7-18-9-5-10(12(13,14)15)17-6-8(9)16/h5-6H,2-4,7,16H2,1H3,(H,17,18)
InChIKeyAIAUKWLHWPQBGC-UHFFFAOYSA-N
XLogP3.28
TPSA50.94 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500259.27
LogP ≤ 53.28
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

4-[[[5-amino-2-(trifluoromethyl)-4-pyridinyl]amino]methyl]oxan-4-ol
CID 106747935
4-N-(2-cyclopentylethyl)-6-(trifluoromethyl)pyridine-3,4-diamine
CID 106747365
4-N-(3-methylbut-2-enyl)-6-(trifluoromethyl)pyridine-3,4-diamine
CID 106182590
4-N-(2,2,3,3-tetrafluoropropyl)-6-(trifluoromethyl)pyridine-3,4-diamine
CID 106290011
N-[3-[[5-amino-2-(trifluoromethyl)-4-pyridinyl]amino]propyl]methanesulfonamide
CID 106333885
4-N-cyclobutyl-6-(trifluoromethyl)pyridine-3,4-diamine
CID 104866691
1-[[5-amino-2-(trifluoromethyl)-4-pyridinyl]amino]-3-(dimethylamino)-2-methylpropan-2-ol
CID 106141985
5-[[5-amino-2-(trifluoromethyl)-4-pyridinyl]amino]-4,4-dimethylpentan-1-ol
CID 106141475
4-N-(2-ethoxypropyl)-6-(trifluoromethyl)pyridine-3,4-diamine
CID 106748056
4-N-[2-[methyl(propan-2-yl)amino]ethyl]-6-(trifluoromethyl)pyridine-3,4-diamine
CID 106747673
4-N-(2-methyl-2-thiophen-2-ylpropyl)-6-(trifluoromethyl)pyridine-3,4-diamine
CID 106747925
4-N-[(2-bromophenyl)methyl]-6-(trifluoromethyl)pyridine-3,4-diamine
CID 106747394

Frequently Asked Questions

What is the IUPAC name of 4-N-[(1-methylcyclobutyl)methyl]-6-(trifluoromethyl)pyridine-3,4-diamine?
The IUPAC name of 4-N-[(1-methylcyclobutyl)methyl]-6-(trifluoromethyl)pyridine-3,4-diamine (CID 114107351) is 4-N-[(1-methylcyclobutyl)methyl]-6-(trifluoromethyl)pyridine-3,4-diamine.
What is the SMILES notation for 4-N-[(1-methylcyclobutyl)methyl]-6-(trifluoromethyl)pyridine-3,4-diamine?
The canonical SMILES for 4-N-[(1-methylcyclobutyl)methyl]-6-(trifluoromethyl)pyridine-3,4-diamine is CC1(CNc2cc(C(F)(F)F)ncc2N)CCC1.
What is the InChIKey of 4-N-[(1-methylcyclobutyl)methyl]-6-(trifluoromethyl)pyridine-3,4-diamine?
The InChIKey is AIAUKWLHWPQBGC-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16F3N3/c1-11(3-2-4-11)7-18-9-5-10(12(13,14)15)17-6-8(9)16/h5-6H,2-4,7,16H2,1H3,(H,17,18).
What are the key properties of 4-N-[(1-methylcyclobutyl)methyl]-6-(trifluoromethyl)pyridine-3,4-diamine?
4-N-[(1-methylcyclobutyl)methyl]-6-(trifluoromethyl)pyridine-3,4-diamine has a molecular weight of 259.27 g/mol, XLogP of 3.28, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-N-[(1-methylcyclobutyl)methyl]-6-(trifluoromethyl)pyridine-3,4-diamine is sourced from PubChem (CID 114107351), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).