N-(3,4-dimethylcyclohexyl)-6-fluoropyridin-2-amine

C13H19FN2 — CID 64741980

IUPACN-(3,4-dimethylcyclohexyl)-6-fluoropyridin-2-amine
SMILESCC1CCC(Nc2cccc(F)n2)CC1C
InChIInChI=1S/C13H19FN2/c1-9-6-7-11(8-10(9)2)15-13-5-3-4-12(14)16-13/h3-5,9-11H,6-8H2,1-2H3,(H,15,16)
InChIKeyPVFJRDJNQUCISW-UHFFFAOYSA-N
MW222.31 g/mol
LogP3.46
Rot. Bonds2

About N-(3,4-dimethylcyclohexyl)-6-fluoropyridin-2-amine

N-(3,4-dimethylcyclohexyl)-6-fluoropyridin-2-amine (PubChem CID 64741980) has the molecular formula C13H19FN2 and a molecular weight of 222.31 g/mol. Its IUPAC name is N-(3,4-dimethylcyclohexyl)-6-fluoropyridin-2-amine.

Molecular Properties

Compound NameN-(3,4-dimethylcyclohexyl)-6-fluoropyridin-2-amine
PubChem CID64741980
Molecular FormulaC13H19FN2
Molecular Weight222.31 g/mol
Exact Mass222.15
IUPAC NameN-(3,4-dimethylcyclohexyl)-6-fluoropyridin-2-amine
SMILESCC1CCC(Nc2cccc(F)n2)CC1C
InChIInChI=1S/C13H19FN2/c1-9-6-7-11(8-10(9)2)15-13-5-3-4-12(14)16-13/h3-5,9-11H,6-8H2,1-2H3,(H,15,16)
InChIKeyPVFJRDJNQUCISW-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

N-(3-ethylcyclopentyl)-6-fluoropyridin-2-amine
CID 116812943
N-(2,6-dimethylcyclohexyl)-6-fluoropyridin-2-amine
CID 116812890
6-fluoro-N-(3,3,5-trimethylcyclohexyl)pyridin-2-amine
CID 113228053
N-(3,4-dimethylcyclohexyl)-3-fluoroaniline
CID 64731978
6-fluoro-N-[(2R,3R)-2-methyloxolan-3-yl]pyridin-2-amine
CID 130608593
6-fluoro-N-(1-propan-2-ylazetidin-3-yl)pyridin-2-amine
CID 130620537
N-(3,4-dimethylcyclohexyl)-2-hydrazinylpyrimidin-4-amine
CID 80915661
2-N-methyl-6-N-(3-methylcyclopentyl)pyridine-2,6-diamine
CID 114542004
N-(3,4-dimethylcyclohexyl)-6-hydrazinyl-2-methylsulfanylpyrimidin-4-amine
CID 80915423
ethyl 3-[(6-fluoro-2-pyridinyl)amino]cyclohexane-1-carboxylate
CID 116813100
6-fluoro-N-[(3-methylcyclobutyl)methyl]pyridin-2-amine
CID 164652880
6-fluoro-N-(4-methyl-1,2,3,4-tetrahydronaphthalen-1-yl)pyridin-2-amine
CID 115756197

Frequently Asked Questions

What is the IUPAC name of N-(3,4-dimethylcyclohexyl)-6-fluoropyridin-2-amine?
The IUPAC name of N-(3,4-dimethylcyclohexyl)-6-fluoropyridin-2-amine (CID 64741980) is N-(3,4-dimethylcyclohexyl)-6-fluoropyridin-2-amine.
What is the SMILES notation for N-(3,4-dimethylcyclohexyl)-6-fluoropyridin-2-amine?
The canonical SMILES for N-(3,4-dimethylcyclohexyl)-6-fluoropyridin-2-amine is CC1CCC(Nc2cccc(F)n2)CC1C.
What is the InChIKey of N-(3,4-dimethylcyclohexyl)-6-fluoropyridin-2-amine?
The InChIKey is PVFJRDJNQUCISW-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19FN2/c1-9-6-7-11(8-10(9)2)15-13-5-3-4-12(14)16-13/h3-5,9-11H,6-8H2,1-2H3,(H,15,16).
What are the key properties of N-(3,4-dimethylcyclohexyl)-6-fluoropyridin-2-amine?
N-(3,4-dimethylcyclohexyl)-6-fluoropyridin-2-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-(3,4-dimethylcyclohexyl)-6-fluoropyridin-2-amine is sourced from PubChem (CID 64741980), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).