(1-ethoxy-3-methylcyclohexyl)-(3-methoxypyrazin-2-yl)methanamine

C15H25N3O2 — CID 116768146

IUPAC(1-ethoxy-3-methylcyclohexyl)-(3-methoxypyrazin-2-yl)methanamine
SMILESCCOC1(C(N)c2nccnc2OC)CCCC(C)C1
InChIInChI=1S/C15H25N3O2/c1-4-20-15(7-5-6-11(2)10-15)13(16)12-14(19-3)18-9-8-17-12/h8-9,11,13H,4-7,10,16H2,1-3H3
InChIKeyCQWYCPBXIOSFTD-UHFFFAOYSA-N
MW279.38 g/mol
LogP2.47
Rot. Bonds5

About (1-ethoxy-3-methylcyclohexyl)-(3-methoxypyrazin-2-yl)methanamine

(1-ethoxy-3-methylcyclohexyl)-(3-methoxypyrazin-2-yl)methanamine (PubChem CID 116768146) has the molecular formula C15H25N3O2 and a molecular weight of 279.38 g/mol. Its IUPAC name is (1-ethoxy-3-methylcyclohexyl)-(3-methoxypyrazin-2-yl)methanamine.

Molecular Properties

Compound Name(1-ethoxy-3-methylcyclohexyl)-(3-methoxypyrazin-2-yl)methanamine
PubChem CID116768146
Molecular FormulaC15H25N3O2
Molecular Weight279.38 g/mol
Exact Mass279.19
IUPAC Name(1-ethoxy-3-methylcyclohexyl)-(3-methoxypyrazin-2-yl)methanamine
SMILESCCOC1(C(N)c2nccnc2OC)CCCC(C)C1
InChIInChI=1S/C15H25N3O2/c1-4-20-15(7-5-6-11(2)10-15)13(16)12-14(19-3)18-9-8-17-12/h8-9,11,13H,4-7,10,16H2,1-3H3
InChIKeyCQWYCPBXIOSFTD-UHFFFAOYSA-N
XLogP2.47
TPSA70.26 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500279.38
LogP ≤ 52.47
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

(1-ethoxy-3-methylcyclohexyl)-(1-propylimidazol-2-yl)methanamine
CID 116768061
(1-ethoxy-3-methylcyclohexyl)-(3-fluoro-4-pyridinyl)methanamine
CID 116768147
(1-ethoxy-3-methylcyclohexyl)-(2-fluoro-4-methoxyphenyl)methanamine
CID 103395911
(1-ethoxy-3-methylcyclohexyl)-(4-methylcyclohexyl)methanamine
CID 116768084
1-(1-ethoxy-3-methylcyclohexyl)-2-methoxyethanamine
CID 116768089
cycloheptyl-(1-ethoxy-3-methylcyclohexyl)methanamine
CID 116768145
1-[amino-(3-methoxypyrazin-2-yl)methyl]-N,N,4-trimethylcyclohexan-1-amine
CID 104515849
(1-ethoxy-4,4-dimethylcyclohexyl)-(3-methoxypyrazin-2-yl)methanol
CID 116755475
N-[(1-ethoxycyclopentyl)-(3-methoxypyrazin-2-yl)methyl]propan-1-amine
CID 116762484
2-cyclopropyl-1-(1-ethoxy-3-methylcyclohexyl)ethanamine
CID 116767988
1-(1-ethoxy-3-methylcyclohexyl)-2-ethylbutan-1-amine
CID 116768094
(2,4-difluorophenyl)-(1-ethoxy-3-methylcyclohexyl)methanamine
CID 116768109

Frequently Asked Questions

What is the IUPAC name of (1-ethoxy-3-methylcyclohexyl)-(3-methoxypyrazin-2-yl)methanamine?
The IUPAC name of (1-ethoxy-3-methylcyclohexyl)-(3-methoxypyrazin-2-yl)methanamine (CID 116768146) is (1-ethoxy-3-methylcyclohexyl)-(3-methoxypyrazin-2-yl)methanamine.
What is the SMILES notation for (1-ethoxy-3-methylcyclohexyl)-(3-methoxypyrazin-2-yl)methanamine?
The canonical SMILES for (1-ethoxy-3-methylcyclohexyl)-(3-methoxypyrazin-2-yl)methanamine is CCOC1(C(N)c2nccnc2OC)CCCC(C)C1.
What is the InChIKey of (1-ethoxy-3-methylcyclohexyl)-(3-methoxypyrazin-2-yl)methanamine?
The InChIKey is CQWYCPBXIOSFTD-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H25N3O2/c1-4-20-15(7-5-6-11(2)10-15)13(16)12-14(19-3)18-9-8-17-12/h8-9,11,13H,4-7,10,16H2,1-3H3.
What are the key properties of (1-ethoxy-3-methylcyclohexyl)-(3-methoxypyrazin-2-yl)methanamine?
(1-ethoxy-3-methylcyclohexyl)-(3-methoxypyrazin-2-yl)methanamine has a molecular weight of 279.38 g/mol, XLogP of 2.47, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (1-ethoxy-3-methylcyclohexyl)-(3-methoxypyrazin-2-yl)methanamine is sourced from PubChem (CID 116768146), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).