1-N-[5-bromo-3-(trifluoromethyl)-2-pyridinyl]-2,2-dimethylcyclobutane-1,3-diamine

C12H15BrF3N3 — CID 106797289

IUPAC1-N-[5-bromo-3-(trifluoromethyl)-2-pyridinyl]-2,2-dimethylcyclobutane-1,3-diamine
SMILESCC1(C)C(N)CC1Nc1ncc(Br)cc1C(F)(F)F
InChIInChI=1S/C12H15BrF3N3/c1-11(2)8(17)4-9(11)19-10-7(12(14,15)16)3-6(13)5-18-10/h3,5,8-9H,4,17H2,1-2H3,(H,18,19)
InChIKeyXVDYJBLMIUESMC-UHFFFAOYSA-N
MW338.17 g/mol
LogP3.40
Rot. Bonds2

About 1-N-[5-bromo-3-(trifluoromethyl)-2-pyridinyl]-2,2-dimethylcyclobutane-1,3-diamine

1-N-[5-bromo-3-(trifluoromethyl)-2-pyridinyl]-2,2-dimethylcyclobutane-1,3-diamine (PubChem CID 106797289) has the molecular formula C12H15BrF3N3 and a molecular weight of 338.17 g/mol. Its IUPAC name is 1-N-[5-bromo-3-(trifluoromethyl)-2-pyridinyl]-2,2-dimethylcyclobutane-1,3-diamine.

Molecular Properties

Compound Name1-N-[5-bromo-3-(trifluoromethyl)-2-pyridinyl]-2,2-dimethylcyclobutane-1,3-diamine
PubChem CID106797289
Molecular FormulaC12H15BrF3N3
Molecular Weight338.17 g/mol
Exact Mass337.04
IUPAC Name1-N-[5-bromo-3-(trifluoromethyl)-2-pyridinyl]-2,2-dimethylcyclobutane-1,3-diamine
SMILESCC1(C)C(N)CC1Nc1ncc(Br)cc1C(F)(F)F
InChIInChI=1S/C12H15BrF3N3/c1-11(2)8(17)4-9(11)19-10-7(12(14,15)16)3-6(13)5-18-10/h3,5,8-9H,4,17H2,1-2H3,(H,18,19)
InChIKeyXVDYJBLMIUESMC-UHFFFAOYSA-N
XLogP3.40
TPSA50.94 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500338.17
LogP ≤ 53.40
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

5-bromo-N-cyclooctyl-3-(trifluoromethyl)pyridin-2-amine
CID 106795924
3-[(3,5-dibromo-2-pyridinyl)amino]-2,2-dimethylcyclobutan-1-ol
CID 114630231
5-bromo-N-(2-methylpiperidin-4-yl)-3-(trifluoromethyl)pyridin-2-amine
CID 106996016
5-bromo-N-(oxan-4-yl)-3-(trifluoromethyl)pyridin-2-amine
CID 106795986
2,2-dimethyl-1-N-[2-(trifluoromethyl)-4-pyridinyl]cyclobutane-1,3-diamine
CID 114270222
5-bromo-N-(4-methylpiperidin-4-yl)-3-(trifluoromethyl)pyridin-2-amine
CID 106796641
1-N-(3,6-dimethylpyrazin-2-yl)-2,2-dimethylcyclobutane-1,3-diamine
CID 114632747
3-[(5-bromo-3-methyl-2-pyridinyl)amino]-2,2-dimethylcyclobutan-1-ol
CID 114630263
5-bromo-N-[(4-ethylcyclohexyl)methyl]-3-(trifluoromethyl)pyridin-2-amine
CID 106796009
4-[[5-bromo-3-(trifluoromethyl)-2-pyridinyl]amino]cyclohexane-1-carboxylic acid
CID 122059880
5-bromo-N-(1-cyclobutylethyl)-3-(trifluoromethyl)pyridin-2-amine
CID 106796396
2,2-dimethyl-1-N-[4-(trifluoromethyl)pyrimidin-2-yl]cyclobutane-1,3-diamine
CID 114632622

Frequently Asked Questions

What is the IUPAC name of 1-N-[5-bromo-3-(trifluoromethyl)-2-pyridinyl]-2,2-dimethylcyclobutane-1,3-diamine?
The IUPAC name of 1-N-[5-bromo-3-(trifluoromethyl)-2-pyridinyl]-2,2-dimethylcyclobutane-1,3-diamine (CID 106797289) is 1-N-[5-bromo-3-(trifluoromethyl)-2-pyridinyl]-2,2-dimethylcyclobutane-1,3-diamine.
What is the SMILES notation for 1-N-[5-bromo-3-(trifluoromethyl)-2-pyridinyl]-2,2-dimethylcyclobutane-1,3-diamine?
The canonical SMILES for 1-N-[5-bromo-3-(trifluoromethyl)-2-pyridinyl]-2,2-dimethylcyclobutane-1,3-diamine is CC1(C)C(N)CC1Nc1ncc(Br)cc1C(F)(F)F.
What is the InChIKey of 1-N-[5-bromo-3-(trifluoromethyl)-2-pyridinyl]-2,2-dimethylcyclobutane-1,3-diamine?
The InChIKey is XVDYJBLMIUESMC-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H15BrF3N3/c1-11(2)8(17)4-9(11)19-10-7(12(14,15)16)3-6(13)5-18-10/h3,5,8-9H,4,17H2,1-2H3,(H,18,19).
What are the key properties of 1-N-[5-bromo-3-(trifluoromethyl)-2-pyridinyl]-2,2-dimethylcyclobutane-1,3-diamine?
1-N-[5-bromo-3-(trifluoromethyl)-2-pyridinyl]-2,2-dimethylcyclobutane-1,3-diamine has a molecular weight of 338.17 g/mol, XLogP of 3.40, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-N-[5-bromo-3-(trifluoromethyl)-2-pyridinyl]-2,2-dimethylcyclobutane-1,3-diamine is sourced from PubChem (CID 106797289), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).