N-(2,3-dimethylcyclohexyl)-6-fluoropyridin-3-amine

C13H19FN2 — CID 104586722

IUPACN-(2,3-dimethylcyclohexyl)-6-fluoropyridin-3-amine
SMILESCC1CCCC(Nc2ccc(F)nc2)C1C
InChIInChI=1S/C13H19FN2/c1-9-4-3-5-12(10(9)2)16-11-6-7-13(14)15-8-11/h6-10,12,16H,3-5H2,1-2H3
InChIKeyGREYPXSKEQJTFL-UHFFFAOYSA-N
MW222.31 g/mol
LogP3.46
Rot. Bonds2

About N-(2,3-dimethylcyclohexyl)-6-fluoropyridin-3-amine

N-(2,3-dimethylcyclohexyl)-6-fluoropyridin-3-amine (PubChem CID 104586722) has the molecular formula C13H19FN2 and a molecular weight of 222.31 g/mol. Its IUPAC name is N-(2,3-dimethylcyclohexyl)-6-fluoropyridin-3-amine.

Molecular Properties

Compound NameN-(2,3-dimethylcyclohexyl)-6-fluoropyridin-3-amine
PubChem CID104586722
Molecular FormulaC13H19FN2
Molecular Weight222.31 g/mol
Exact Mass222.15
IUPAC NameN-(2,3-dimethylcyclohexyl)-6-fluoropyridin-3-amine
SMILESCC1CCCC(Nc2ccc(F)nc2)C1C
InChIInChI=1S/C13H19FN2/c1-9-4-3-5-12(10(9)2)16-11-6-7-13(14)15-8-11/h6-10,12,16H,3-5H2,1-2H3
InChIKeyGREYPXSKEQJTFL-UHFFFAOYSA-N
XLogP3.46
TPSA24.92 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500222.31
LogP ≤ 53.46
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': '2-halo_pyridine', 'substructure': 'N/A'}

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Related Compounds

6-fluoro-N-(2-methylcyclohexyl)pyridin-3-amine
CID 104586717
5-N-(2,3-dimethylcyclohexyl)-2-N,2-N-diethylpyridine-2,5-diamine
CID 64760620
N-(2,3-dimethylcyclohexyl)-3,4-difluoroaniline
CID 64776370
6-fluoro-N-(2-methylthiolan-3-yl)pyridin-3-amine
CID 102672913
4-fluoro-N-[(1R,2S)-2-methylcyclopentyl]aniline
CID 96923123
4-[(2,3-dimethylcyclohexyl)amino]benzonitrile
CID 43079582
N-(2,3-dimethylcyclohexyl)-4-(1H-imidazol-5-yl)aniline
CID 64760237
5-[(2-methylcyclopentyl)amino]pyridine-2-carboxylic acid
CID 115490910
N-(2,3-dimethylcyclohexyl)pyrimidin-2-amine
CID 43080219
5-[(2-methylcyclopentyl)amino]pyridine-2-carbothioamide
CID 115488600
2-N,2-N-dimethyl-5-N-(2-methylcyclohexyl)pyridine-2,5-diamine
CID 43690472
N-(2,3-dimethylcyclohexyl)-2,4,5-trifluoroaniline
CID 64760115

Frequently Asked Questions

What is the IUPAC name of N-(2,3-dimethylcyclohexyl)-6-fluoropyridin-3-amine?
The IUPAC name of N-(2,3-dimethylcyclohexyl)-6-fluoropyridin-3-amine (CID 104586722) is N-(2,3-dimethylcyclohexyl)-6-fluoropyridin-3-amine.
What is the SMILES notation for N-(2,3-dimethylcyclohexyl)-6-fluoropyridin-3-amine?
The canonical SMILES for N-(2,3-dimethylcyclohexyl)-6-fluoropyridin-3-amine is CC1CCCC(Nc2ccc(F)nc2)C1C.
What is the InChIKey of N-(2,3-dimethylcyclohexyl)-6-fluoropyridin-3-amine?
The InChIKey is GREYPXSKEQJTFL-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19FN2/c1-9-4-3-5-12(10(9)2)16-11-6-7-13(14)15-8-11/h6-10,12,16H,3-5H2,1-2H3.
What are the key properties of N-(2,3-dimethylcyclohexyl)-6-fluoropyridin-3-amine?
N-(2,3-dimethylcyclohexyl)-6-fluoropyridin-3-amine has a molecular weight of 222.31 g/mol, XLogP of 3.46, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2,3-dimethylcyclohexyl)-6-fluoropyridin-3-amine is sourced from PubChem (CID 104586722), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).