3-fluoro-3-(3-methoxypyrazin-2-yl)cyclohexan-1-amine

C11H16FN3O — CID 104516884

IUPAC3-fluoro-3-(3-methoxypyrazin-2-yl)cyclohexan-1-amine
SMILESCOc1nccnc1C1(F)CCCC(N)C1
InChIInChI=1S/C11H16FN3O/c1-16-10-9(14-5-6-15-10)11(12)4-2-3-8(13)7-11/h5-6,8H,2-4,7,13H2,1H3
InChIKeyNIZZUKHMPWSPOJ-UHFFFAOYSA-N
MW225.27 g/mol
LogP1.55
Rot. Bonds2

About 3-fluoro-3-(3-methoxypyrazin-2-yl)cyclohexan-1-amine

3-fluoro-3-(3-methoxypyrazin-2-yl)cyclohexan-1-amine (PubChem CID 104516884) has the molecular formula C11H16FN3O and a molecular weight of 225.27 g/mol. Its IUPAC name is 3-fluoro-3-(3-methoxypyrazin-2-yl)cyclohexan-1-amine.

Molecular Properties

Compound Name3-fluoro-3-(3-methoxypyrazin-2-yl)cyclohexan-1-amine
PubChem CID104516884
Molecular FormulaC11H16FN3O
Molecular Weight225.27 g/mol
Exact Mass225.13
IUPAC Name3-fluoro-3-(3-methoxypyrazin-2-yl)cyclohexan-1-amine
SMILESCOc1nccnc1C1(F)CCCC(N)C1
InChIInChI=1S/C11H16FN3O/c1-16-10-9(14-5-6-15-10)11(12)4-2-3-8(13)7-11/h5-6,8H,2-4,7,13H2,1H3
InChIKeyNIZZUKHMPWSPOJ-UHFFFAOYSA-N
XLogP1.55
TPSA61.03 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500225.27
LogP ≤ 51.55
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 3-fluoro-3-(3-methoxypyrazin-2-yl)cyclohexan-1-amine?
The IUPAC name of 3-fluoro-3-(3-methoxypyrazin-2-yl)cyclohexan-1-amine (CID 104516884) is 3-fluoro-3-(3-methoxypyrazin-2-yl)cyclohexan-1-amine.
What is the SMILES notation for 3-fluoro-3-(3-methoxypyrazin-2-yl)cyclohexan-1-amine?
The canonical SMILES for 3-fluoro-3-(3-methoxypyrazin-2-yl)cyclohexan-1-amine is COc1nccnc1C1(F)CCCC(N)C1.
What is the InChIKey of 3-fluoro-3-(3-methoxypyrazin-2-yl)cyclohexan-1-amine?
The InChIKey is NIZZUKHMPWSPOJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H16FN3O/c1-16-10-9(14-5-6-15-10)11(12)4-2-3-8(13)7-11/h5-6,8H,2-4,7,13H2,1H3.
What are the key properties of 3-fluoro-3-(3-methoxypyrazin-2-yl)cyclohexan-1-amine?
3-fluoro-3-(3-methoxypyrazin-2-yl)cyclohexan-1-amine has a molecular weight of 225.27 g/mol, XLogP of 1.55, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-fluoro-3-(3-methoxypyrazin-2-yl)cyclohexan-1-amine is sourced from PubChem (CID 104516884), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).