4-N-(cyclohexylmethyl)-4-N-methyl-6-(trifluoromethyl)pyridine-3,4-diamine

C14H20F3N3 — CID 106747423

IUPAC4-N-(cyclohexylmethyl)-4-N-methyl-6-(trifluoromethyl)pyridine-3,4-diamine
SMILESCN(CC1CCCCC1)c1cc(C(F)(F)F)ncc1N
InChIInChI=1S/C14H20F3N3/c1-20(9-10-5-3-2-4-6-10)12-7-13(14(15,16)17)19-8-11(12)18/h7-8,10H,2-6,9,18H2,1H3
InChIKeyJKYAGLDWURVSHO-UHFFFAOYSA-N
MW287.33 g/mol
LogP3.70
Rot. Bonds3

About 4-N-(cyclohexylmethyl)-4-N-methyl-6-(trifluoromethyl)pyridine-3,4-diamine

4-N-(cyclohexylmethyl)-4-N-methyl-6-(trifluoromethyl)pyridine-3,4-diamine (PubChem CID 106747423) has the molecular formula C14H20F3N3 and a molecular weight of 287.33 g/mol. Its IUPAC name is 4-N-(cyclohexylmethyl)-4-N-methyl-6-(trifluoromethyl)pyridine-3,4-diamine.

Molecular Properties

Compound Name4-N-(cyclohexylmethyl)-4-N-methyl-6-(trifluoromethyl)pyridine-3,4-diamine
PubChem CID106747423
Molecular FormulaC14H20F3N3
Molecular Weight287.33 g/mol
Exact Mass287.16
IUPAC Name4-N-(cyclohexylmethyl)-4-N-methyl-6-(trifluoromethyl)pyridine-3,4-diamine
SMILESCN(CC1CCCCC1)c1cc(C(F)(F)F)ncc1N
InChIInChI=1S/C14H20F3N3/c1-20(9-10-5-3-2-4-6-10)12-7-13(14(15,16)17)19-8-11(12)18/h7-8,10H,2-6,9,18H2,1H3
InChIKeyJKYAGLDWURVSHO-UHFFFAOYSA-N
XLogP3.70
TPSA42.15 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500287.33
LogP ≤ 53.70
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

4-N-[(1-ethylpyrrolidin-2-yl)methyl]-4-N-methyl-6-(trifluoromethyl)pyridine-3,4-diamine
CID 106747884
4-N-(4,4-dimethylcyclohexyl)-4-N-methyl-6-(trifluoromethyl)pyridine-3,4-diamine
CID 106747912
2-N-(cyclohexylmethyl)-2-N,4-dimethylpyridine-2,5-diamine
CID 79174152
4-(cyclopentylmethylsulfanyl)-6-(trifluoromethyl)pyridin-3-amine
CID 106748815
4-N-methyl-4-N-(thiolan-3-yl)-6-(trifluoromethyl)pyridine-3,4-diamine
CID 106747275
4-N-methyl-4-N-[(2-methylphenyl)methyl]-6-(trifluoromethyl)pyridine-3,4-diamine
CID 106747324
2-N-(cyclopentylmethyl)-2-N,4-dimethylpyridine-2,5-diamine
CID 79176906
4-N-(2-cyclopentylethyl)-6-(trifluoromethyl)pyridine-3,4-diamine
CID 106747365
4-N-[(2-bromophenyl)methyl]-4-N-methyl-6-(trifluoromethyl)pyridine-3,4-diamine
CID 106747402
4-N-methyl-4-N-(4-methylpentan-2-yl)-6-(trifluoromethyl)pyridine-3,4-diamine
CID 106747535
1-N-(cyclohexylmethyl)-4-iodo-1-N-methylbenzene-1,2-diamine
CID 66063936
3-N-(cyclohexylmethyl)-3-N-methylpyridine-2,3-diamine
CID 104540064

Frequently Asked Questions

What is the IUPAC name of 4-N-(cyclohexylmethyl)-4-N-methyl-6-(trifluoromethyl)pyridine-3,4-diamine?
The IUPAC name of 4-N-(cyclohexylmethyl)-4-N-methyl-6-(trifluoromethyl)pyridine-3,4-diamine (CID 106747423) is 4-N-(cyclohexylmethyl)-4-N-methyl-6-(trifluoromethyl)pyridine-3,4-diamine.
What is the SMILES notation for 4-N-(cyclohexylmethyl)-4-N-methyl-6-(trifluoromethyl)pyridine-3,4-diamine?
The canonical SMILES for 4-N-(cyclohexylmethyl)-4-N-methyl-6-(trifluoromethyl)pyridine-3,4-diamine is CN(CC1CCCCC1)c1cc(C(F)(F)F)ncc1N.
What is the InChIKey of 4-N-(cyclohexylmethyl)-4-N-methyl-6-(trifluoromethyl)pyridine-3,4-diamine?
The InChIKey is JKYAGLDWURVSHO-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20F3N3/c1-20(9-10-5-3-2-4-6-10)12-7-13(14(15,16)17)19-8-11(12)18/h7-8,10H,2-6,9,18H2,1H3.
What are the key properties of 4-N-(cyclohexylmethyl)-4-N-methyl-6-(trifluoromethyl)pyridine-3,4-diamine?
4-N-(cyclohexylmethyl)-4-N-methyl-6-(trifluoromethyl)pyridine-3,4-diamine has a molecular weight of 287.33 g/mol, XLogP of 3.70, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-N-(cyclohexylmethyl)-4-N-methyl-6-(trifluoromethyl)pyridine-3,4-diamine is sourced from PubChem (CID 106747423), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).