N-[(4,4-difluorocyclohexyl)-(3-methoxypyrazin-2-yl)methyl]propan-1-amine

C15H23F2N3O — CID 105178707

IUPACN-[(4,4-difluorocyclohexyl)-(3-methoxypyrazin-2-yl)methyl]propan-1-amine
SMILESCCCNC(c1nccnc1OC)C1CCC(F)(F)CC1
InChIInChI=1S/C15H23F2N3O/c1-3-8-18-12(11-4-6-15(16,17)7-5-11)13-14(21-2)20-10-9-19-13/h9-12,18H,3-8H2,1-2H3
InChIKeyRXEOKAQYCPVFGX-UHFFFAOYSA-N
MW299.36 g/mol
LogP3.35
Rot. Bonds6

About N-[(4,4-difluorocyclohexyl)-(3-methoxypyrazin-2-yl)methyl]propan-1-amine

N-[(4,4-difluorocyclohexyl)-(3-methoxypyrazin-2-yl)methyl]propan-1-amine (PubChem CID 105178707) has the molecular formula C15H23F2N3O and a molecular weight of 299.36 g/mol. Its IUPAC name is N-[(4,4-difluorocyclohexyl)-(3-methoxypyrazin-2-yl)methyl]propan-1-amine.

Molecular Properties

Compound NameN-[(4,4-difluorocyclohexyl)-(3-methoxypyrazin-2-yl)methyl]propan-1-amine
PubChem CID105178707
Molecular FormulaC15H23F2N3O
Molecular Weight299.36 g/mol
Exact Mass299.18
IUPAC NameN-[(4,4-difluorocyclohexyl)-(3-methoxypyrazin-2-yl)methyl]propan-1-amine
SMILESCCCNC(c1nccnc1OC)C1CCC(F)(F)CC1
InChIInChI=1S/C15H23F2N3O/c1-3-8-18-12(11-4-6-15(16,17)7-5-11)13-14(21-2)20-10-9-19-13/h9-12,18H,3-8H2,1-2H3
InChIKeyRXEOKAQYCPVFGX-UHFFFAOYSA-N
XLogP3.35
TPSA47.04 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500299.36
LogP ≤ 53.35
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-[cyclohexyl-(3-methoxypyrazin-2-yl)methyl]propan-1-amine
CID 104515379
(4,4-difluorocyclohexyl)-(3-methoxypyrazin-2-yl)methanol
CID 105123934
N-[1,4-dithian-2-yl-(3-methoxypyrazin-2-yl)methyl]propan-1-amine
CID 104515918
1-(4,4-dimethylcyclohexyl)-1-(3-methoxypyrazin-2-yl)-N-methylmethanamine
CID 104515704
N-[(3-methoxypyrazin-2-yl)-(3-methyloxolan-2-yl)methyl]propan-1-amine
CID 105031966
1-(3-methoxypyrazin-2-yl)-N-methyl-1-(4-propylcyclohexyl)methanamine
CID 104515711
N-[cyclohexyl-(2-methoxy-3-pyridinyl)methyl]propan-1-amine
CID 105080054
N-[2,2,2-trifluoro-1-(3-methoxypyrazin-2-yl)ethyl]propan-1-amine
CID 105032098
N-[(4-bromothiophen-3-yl)-(4,4-difluorocyclohexyl)methyl]propan-1-amine
CID 105166797
N-[(1-ethoxycyclopentyl)-(3-methoxypyrazin-2-yl)methyl]propan-1-amine
CID 116762484
1-(3-methoxypyrazin-2-yl)-N-propylpentan-1-amine
CID 113421622
4-methoxy-1-(3-methoxypyrazin-2-yl)-3-methyl-N-propylbutan-1-amine
CID 105178681

Frequently Asked Questions

What is the IUPAC name of N-[(4,4-difluorocyclohexyl)-(3-methoxypyrazin-2-yl)methyl]propan-1-amine?
The IUPAC name of N-[(4,4-difluorocyclohexyl)-(3-methoxypyrazin-2-yl)methyl]propan-1-amine (CID 105178707) is N-[(4,4-difluorocyclohexyl)-(3-methoxypyrazin-2-yl)methyl]propan-1-amine.
What is the SMILES notation for N-[(4,4-difluorocyclohexyl)-(3-methoxypyrazin-2-yl)methyl]propan-1-amine?
The canonical SMILES for N-[(4,4-difluorocyclohexyl)-(3-methoxypyrazin-2-yl)methyl]propan-1-amine is CCCNC(c1nccnc1OC)C1CCC(F)(F)CC1.
What is the InChIKey of N-[(4,4-difluorocyclohexyl)-(3-methoxypyrazin-2-yl)methyl]propan-1-amine?
The InChIKey is RXEOKAQYCPVFGX-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H23F2N3O/c1-3-8-18-12(11-4-6-15(16,17)7-5-11)13-14(21-2)20-10-9-19-13/h9-12,18H,3-8H2,1-2H3.
What are the key properties of N-[(4,4-difluorocyclohexyl)-(3-methoxypyrazin-2-yl)methyl]propan-1-amine?
N-[(4,4-difluorocyclohexyl)-(3-methoxypyrazin-2-yl)methyl]propan-1-amine has a molecular weight of 299.36 g/mol, XLogP of 3.35, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(4,4-difluorocyclohexyl)-(3-methoxypyrazin-2-yl)methyl]propan-1-amine is sourced from PubChem (CID 105178707), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).