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

C16H27N3O2 — CID 107190656

IUPAC1-(3,5-dimethoxypyrazin-2-yl)-1-(2,2-dimethylcyclohexyl)-N-methylmethanamine
SMILESCNC(c1ncc(OC)nc1OC)C1CCCCC1(C)C
InChIInChI=1S/C16H27N3O2/c1-16(2)9-7-6-8-11(16)13(17-3)14-15(21-5)19-12(20-4)10-18-14/h10-11,13,17H,6-9H2,1-5H3
InChIKeyYRDCXOJWJSFYLC-UHFFFAOYSA-N
MW293.41 g/mol
LogP2.97
Rot. Bonds5

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

1-(3,5-dimethoxypyrazin-2-yl)-1-(2,2-dimethylcyclohexyl)-N-methylmethanamine (PubChem CID 107190656) has the molecular formula C16H27N3O2 and a molecular weight of 293.41 g/mol. Its IUPAC name is 1-(3,5-dimethoxypyrazin-2-yl)-1-(2,2-dimethylcyclohexyl)-N-methylmethanamine.

Molecular Properties

Compound Name1-(3,5-dimethoxypyrazin-2-yl)-1-(2,2-dimethylcyclohexyl)-N-methylmethanamine
PubChem CID107190656
Molecular FormulaC16H27N3O2
Molecular Weight293.41 g/mol
Exact Mass293.21
IUPAC Name1-(3,5-dimethoxypyrazin-2-yl)-1-(2,2-dimethylcyclohexyl)-N-methylmethanamine
SMILESCNC(c1ncc(OC)nc1OC)C1CCCCC1(C)C
InChIInChI=1S/C16H27N3O2/c1-16(2)9-7-6-8-11(16)13(17-3)14-15(21-5)19-12(20-4)10-18-14/h10-11,13,17H,6-9H2,1-5H3
InChIKeyYRDCXOJWJSFYLC-UHFFFAOYSA-N
XLogP2.97
TPSA56.27 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500293.41
LogP ≤ 52.97
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

(3,5-dimethoxypyrazin-2-yl)-(2,2-dimethylcyclopentyl)methanamine
CID 107190660
1-(2,2-dimethylcyclohexyl)-2-(4-methoxyphenyl)-N-methylethanamine
CID 107179500
N-[(2,2-dimethylcyclohexyl)-(4-methoxyphenyl)methyl]ethanamine
CID 107177352
(3,5-dimethoxypyrazin-2-yl)-(1-methoxycyclohexyl)methanol
CID 116753341
2-cyclopropyl-1-(3,5-dimethoxypyrazin-2-yl)-N-ethylpropan-1-amine
CID 105031029
2-cyclopropyl-1-(3,5-dimethoxypyrazin-2-yl)propan-1-ol
CID 115830716
1-(3,5-dimethoxypyrazin-2-yl)-N-methyl-2-(oxolan-2-yl)ethanamine
CID 105031020
1-(3,5-dimethoxypyrazin-2-yl)-2-methoxy-N-methylethanamine
CID 105178224
1-(2,2-dimethylcyclohexyl)-1-(5-fluoro-2-methoxyphenyl)-N-methylmethanamine
CID 107177273
1-(2,2-dimethylcyclohexyl)-1-[5-(methoxymethyl)furan-2-yl]-N-methylmethanamine
CID 107178220
[2-bicyclo[2.2.1]heptanyl-(3,5-dimethoxypyrazin-2-yl)methyl]hydrazine
CID 105332345
3-cyclopentyl-1-(3,5-dimethoxypyrazin-2-yl)-N-ethylpropan-1-amine
CID 105031097

Frequently Asked Questions

What is the IUPAC name of 1-(3,5-dimethoxypyrazin-2-yl)-1-(2,2-dimethylcyclohexyl)-N-methylmethanamine?
The IUPAC name of 1-(3,5-dimethoxypyrazin-2-yl)-1-(2,2-dimethylcyclohexyl)-N-methylmethanamine (CID 107190656) is 1-(3,5-dimethoxypyrazin-2-yl)-1-(2,2-dimethylcyclohexyl)-N-methylmethanamine.
What is the SMILES notation for 1-(3,5-dimethoxypyrazin-2-yl)-1-(2,2-dimethylcyclohexyl)-N-methylmethanamine?
The canonical SMILES for 1-(3,5-dimethoxypyrazin-2-yl)-1-(2,2-dimethylcyclohexyl)-N-methylmethanamine is CNC(c1ncc(OC)nc1OC)C1CCCCC1(C)C.
What is the InChIKey of 1-(3,5-dimethoxypyrazin-2-yl)-1-(2,2-dimethylcyclohexyl)-N-methylmethanamine?
The InChIKey is YRDCXOJWJSFYLC-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H27N3O2/c1-16(2)9-7-6-8-11(16)13(17-3)14-15(21-5)19-12(20-4)10-18-14/h10-11,13,17H,6-9H2,1-5H3.
What are the key properties of 1-(3,5-dimethoxypyrazin-2-yl)-1-(2,2-dimethylcyclohexyl)-N-methylmethanamine?
1-(3,5-dimethoxypyrazin-2-yl)-1-(2,2-dimethylcyclohexyl)-N-methylmethanamine has a molecular weight of 293.41 g/mol, XLogP of 2.97, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3,5-dimethoxypyrazin-2-yl)-1-(2,2-dimethylcyclohexyl)-N-methylmethanamine is sourced from PubChem (CID 107190656), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).