(1-ethoxy-4,4-dimethylcyclohexyl)-(3-methoxypyrazin-2-yl)methanol

C16H26N2O3 — CID 116755475

IUPAC(1-ethoxy-4,4-dimethylcyclohexyl)-(3-methoxypyrazin-2-yl)methanol
SMILESCCOC1(C(O)c2nccnc2OC)CCC(C)(C)CC1
InChIInChI=1S/C16H26N2O3/c1-5-21-16(8-6-15(2,3)7-9-16)13(19)12-14(20-4)18-11-10-17-12/h10-11,13,19H,5-9H2,1-4H3
InChIKeyFNYJZGPDYQGUCE-UHFFFAOYSA-N
MW294.39 g/mol
LogP2.89
Rot. Bonds5

About (1-ethoxy-4,4-dimethylcyclohexyl)-(3-methoxypyrazin-2-yl)methanol

(1-ethoxy-4,4-dimethylcyclohexyl)-(3-methoxypyrazin-2-yl)methanol (PubChem CID 116755475) has the molecular formula C16H26N2O3 and a molecular weight of 294.39 g/mol. Its IUPAC name is (1-ethoxy-4,4-dimethylcyclohexyl)-(3-methoxypyrazin-2-yl)methanol.

Molecular Properties

Compound Name(1-ethoxy-4,4-dimethylcyclohexyl)-(3-methoxypyrazin-2-yl)methanol
PubChem CID116755475
Molecular FormulaC16H26N2O3
Molecular Weight294.39 g/mol
Exact Mass294.19
IUPAC Name(1-ethoxy-4,4-dimethylcyclohexyl)-(3-methoxypyrazin-2-yl)methanol
SMILESCCOC1(C(O)c2nccnc2OC)CCC(C)(C)CC1
InChIInChI=1S/C16H26N2O3/c1-5-21-16(8-6-15(2,3)7-9-16)13(19)12-14(20-4)18-11-10-17-12/h10-11,13,19H,5-9H2,1-4H3
InChIKeyFNYJZGPDYQGUCE-UHFFFAOYSA-N
XLogP2.89
TPSA64.47 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500294.39
LogP ≤ 52.89
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

(1-ethoxy-3-methylcyclohexyl)-(3-methoxypyrazin-2-yl)methanamine
CID 116768146
(1-ethoxy-4,4-dimethylcyclohexyl)-(4-methyl-3-pyridinyl)methanol
CID 116755515
N-[(1-ethoxycyclopentyl)-(3-methoxypyrazin-2-yl)methyl]propan-1-amine
CID 116762484
(3-methoxypyrazin-2-yl)-(1-phenylcyclobutyl)methanol
CID 104515113
(1-ethoxy-4,4-dimethylcyclohexyl)-(2-methylphenyl)methanol
CID 116755399
(4-bromo-1-methylpyrazol-5-yl)-(1-ethoxy-4,4-dimethylcyclohexyl)methanol
CID 114645902
(4,4-difluorocyclohexyl)-(3-methoxypyrazin-2-yl)methanol
CID 105123934
1-(4,4-dimethylcyclohexyl)-1-(3-methoxypyrazin-2-yl)-N-methylmethanamine
CID 104515704
1-(3-methoxypyrazin-2-yl)-2-(propylamino)ethanol
CID 104516706
2-(difluoromethyl)-3-methoxypyrazine;ethane;1,2,3,5,6,7-hexahydropyrrolizin-8-ylmethanol
CID 169255160
(1-ethoxycycloheptyl)-(1-ethylimidazol-2-yl)methanol
CID 116756208
1-(3-methoxypyrazin-2-yl)-2-[(2-methylpropan-2-yl)oxy]ethanol
CID 105123869

Frequently Asked Questions

What is the IUPAC name of (1-ethoxy-4,4-dimethylcyclohexyl)-(3-methoxypyrazin-2-yl)methanol?
The IUPAC name of (1-ethoxy-4,4-dimethylcyclohexyl)-(3-methoxypyrazin-2-yl)methanol (CID 116755475) is (1-ethoxy-4,4-dimethylcyclohexyl)-(3-methoxypyrazin-2-yl)methanol.
What is the SMILES notation for (1-ethoxy-4,4-dimethylcyclohexyl)-(3-methoxypyrazin-2-yl)methanol?
The canonical SMILES for (1-ethoxy-4,4-dimethylcyclohexyl)-(3-methoxypyrazin-2-yl)methanol is CCOC1(C(O)c2nccnc2OC)CCC(C)(C)CC1.
What is the InChIKey of (1-ethoxy-4,4-dimethylcyclohexyl)-(3-methoxypyrazin-2-yl)methanol?
The InChIKey is FNYJZGPDYQGUCE-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H26N2O3/c1-5-21-16(8-6-15(2,3)7-9-16)13(19)12-14(20-4)18-11-10-17-12/h10-11,13,19H,5-9H2,1-4H3.
What are the key properties of (1-ethoxy-4,4-dimethylcyclohexyl)-(3-methoxypyrazin-2-yl)methanol?
(1-ethoxy-4,4-dimethylcyclohexyl)-(3-methoxypyrazin-2-yl)methanol has a molecular weight of 294.39 g/mol, XLogP of 2.89, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (1-ethoxy-4,4-dimethylcyclohexyl)-(3-methoxypyrazin-2-yl)methanol is sourced from PubChem (CID 116755475), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).