1-(4,4-difluorocyclohexyl)-1-(3,5-dimethoxypyrazin-2-yl)-N-methylmethanamine

C14H21F2N3O2 — CID 105178315

IUPAC1-(4,4-difluorocyclohexyl)-1-(3,5-dimethoxypyrazin-2-yl)-N-methylmethanamine
SMILESCNC(c1ncc(OC)nc1OC)C1CCC(F)(F)CC1
InChIInChI=1S/C14H21F2N3O2/c1-17-11(9-4-6-14(15,16)7-5-9)12-13(21-3)19-10(20-2)8-18-12/h8-9,11,17H,4-7H2,1-3H3
InChIKeyJUIOFCWLONRUQZ-UHFFFAOYSA-N
MW301.34 g/mol
LogP2.58
Rot. Bonds5

About 1-(4,4-difluorocyclohexyl)-1-(3,5-dimethoxypyrazin-2-yl)-N-methylmethanamine

1-(4,4-difluorocyclohexyl)-1-(3,5-dimethoxypyrazin-2-yl)-N-methylmethanamine (PubChem CID 105178315) has the molecular formula C14H21F2N3O2 and a molecular weight of 301.34 g/mol. Its IUPAC name is 1-(4,4-difluorocyclohexyl)-1-(3,5-dimethoxypyrazin-2-yl)-N-methylmethanamine.

Molecular Properties

Compound Name1-(4,4-difluorocyclohexyl)-1-(3,5-dimethoxypyrazin-2-yl)-N-methylmethanamine
PubChem CID105178315
Molecular FormulaC14H21F2N3O2
Molecular Weight301.34 g/mol
Exact Mass301.16
IUPAC Name1-(4,4-difluorocyclohexyl)-1-(3,5-dimethoxypyrazin-2-yl)-N-methylmethanamine
SMILESCNC(c1ncc(OC)nc1OC)C1CCC(F)(F)CC1
InChIInChI=1S/C14H21F2N3O2/c1-17-11(9-4-6-14(15,16)7-5-9)12-13(21-3)19-10(20-2)8-18-12/h8-9,11,17H,4-7H2,1-3H3
InChIKeyJUIOFCWLONRUQZ-UHFFFAOYSA-N
XLogP2.58
TPSA56.27 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500301.34
LogP ≤ 52.58
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 1-(4,4-difluorocyclohexyl)-1-(3,5-dimethoxypyrazin-2-yl)-N-methylmethanamine?
The IUPAC name of 1-(4,4-difluorocyclohexyl)-1-(3,5-dimethoxypyrazin-2-yl)-N-methylmethanamine (CID 105178315) is 1-(4,4-difluorocyclohexyl)-1-(3,5-dimethoxypyrazin-2-yl)-N-methylmethanamine.
What is the SMILES notation for 1-(4,4-difluorocyclohexyl)-1-(3,5-dimethoxypyrazin-2-yl)-N-methylmethanamine?
The canonical SMILES for 1-(4,4-difluorocyclohexyl)-1-(3,5-dimethoxypyrazin-2-yl)-N-methylmethanamine is CNC(c1ncc(OC)nc1OC)C1CCC(F)(F)CC1.
What is the InChIKey of 1-(4,4-difluorocyclohexyl)-1-(3,5-dimethoxypyrazin-2-yl)-N-methylmethanamine?
The InChIKey is JUIOFCWLONRUQZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21F2N3O2/c1-17-11(9-4-6-14(15,16)7-5-9)12-13(21-3)19-10(20-2)8-18-12/h8-9,11,17H,4-7H2,1-3H3.
What are the key properties of 1-(4,4-difluorocyclohexyl)-1-(3,5-dimethoxypyrazin-2-yl)-N-methylmethanamine?
1-(4,4-difluorocyclohexyl)-1-(3,5-dimethoxypyrazin-2-yl)-N-methylmethanamine has a molecular weight of 301.34 g/mol, XLogP of 2.58, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4,4-difluorocyclohexyl)-1-(3,5-dimethoxypyrazin-2-yl)-N-methylmethanamine is sourced from PubChem (CID 105178315), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).