4-fluoro-4-(3-methoxypyrazin-2-yl)cyclohexan-1-amine

C11H16FN3O — CID 104516867

IUPAC4-fluoro-4-(3-methoxypyrazin-2-yl)cyclohexan-1-amine
SMILESCOc1nccnc1C1(F)CCC(N)CC1
InChIInChI=1S/C11H16FN3O/c1-16-10-9(14-6-7-15-10)11(12)4-2-8(13)3-5-11/h6-8H,2-5,13H2,1H3
InChIKeySJDROWVNIKDGTB-UHFFFAOYSA-N
MW225.27 g/mol
LogP1.55
Rot. Bonds2

About 4-fluoro-4-(3-methoxypyrazin-2-yl)cyclohexan-1-amine

4-fluoro-4-(3-methoxypyrazin-2-yl)cyclohexan-1-amine (PubChem CID 104516867) has the molecular formula C11H16FN3O and a molecular weight of 225.27 g/mol. Its IUPAC name is 4-fluoro-4-(3-methoxypyrazin-2-yl)cyclohexan-1-amine.

Molecular Properties

Compound Name4-fluoro-4-(3-methoxypyrazin-2-yl)cyclohexan-1-amine
PubChem CID104516867
Molecular FormulaC11H16FN3O
Molecular Weight225.27 g/mol
Exact Mass225.13
IUPAC Name4-fluoro-4-(3-methoxypyrazin-2-yl)cyclohexan-1-amine
SMILESCOc1nccnc1C1(F)CCC(N)CC1
InChIInChI=1S/C11H16FN3O/c1-16-10-9(14-6-7-15-10)11(12)4-2-8(13)3-5-11/h6-8H,2-5,13H2,1H3
InChIKeySJDROWVNIKDGTB-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 4-fluoro-4-(3-methoxypyrazin-2-yl)cyclohexan-1-amine?
The IUPAC name of 4-fluoro-4-(3-methoxypyrazin-2-yl)cyclohexan-1-amine (CID 104516867) is 4-fluoro-4-(3-methoxypyrazin-2-yl)cyclohexan-1-amine.
What is the SMILES notation for 4-fluoro-4-(3-methoxypyrazin-2-yl)cyclohexan-1-amine?
The canonical SMILES for 4-fluoro-4-(3-methoxypyrazin-2-yl)cyclohexan-1-amine is COc1nccnc1C1(F)CCC(N)CC1.
What is the InChIKey of 4-fluoro-4-(3-methoxypyrazin-2-yl)cyclohexan-1-amine?
The InChIKey is SJDROWVNIKDGTB-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H16FN3O/c1-16-10-9(14-6-7-15-10)11(12)4-2-8(13)3-5-11/h6-8H,2-5,13H2,1H3.
What are the key properties of 4-fluoro-4-(3-methoxypyrazin-2-yl)cyclohexan-1-amine?
4-fluoro-4-(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 4-fluoro-4-(3-methoxypyrazin-2-yl)cyclohexan-1-amine is sourced from PubChem (CID 104516867), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).