1-(3-methoxypyrazin-2-yl)-4-(2-methylbutan-2-yl)cyclohexan-1-amine

C16H27N3O — CID 104514762

IUPAC1-(3-methoxypyrazin-2-yl)-4-(2-methylbutan-2-yl)cyclohexan-1-amine
SMILESCCC(C)(C)C1CCC(N)(c2nccnc2OC)CC1
InChIInChI=1S/C16H27N3O/c1-5-15(2,3)12-6-8-16(17,9-7-12)13-14(20-4)19-11-10-18-13/h10-12H,5-9,17H2,1-4H3
InChIKeyGXASEIJUQHSYRH-UHFFFAOYSA-N
MW277.41 g/mol
LogP3.27
Rot. Bonds4

About 1-(3-methoxypyrazin-2-yl)-4-(2-methylbutan-2-yl)cyclohexan-1-amine

1-(3-methoxypyrazin-2-yl)-4-(2-methylbutan-2-yl)cyclohexan-1-amine (PubChem CID 104514762) has the molecular formula C16H27N3O and a molecular weight of 277.41 g/mol. Its IUPAC name is 1-(3-methoxypyrazin-2-yl)-4-(2-methylbutan-2-yl)cyclohexan-1-amine.

Molecular Properties

Compound Name1-(3-methoxypyrazin-2-yl)-4-(2-methylbutan-2-yl)cyclohexan-1-amine
PubChem CID104514762
Molecular FormulaC16H27N3O
Molecular Weight277.41 g/mol
Exact Mass277.22
IUPAC Name1-(3-methoxypyrazin-2-yl)-4-(2-methylbutan-2-yl)cyclohexan-1-amine
SMILESCCC(C)(C)C1CCC(N)(c2nccnc2OC)CC1
InChIInChI=1S/C16H27N3O/c1-5-15(2,3)12-6-8-16(17,9-7-12)13-14(20-4)19-11-10-18-13/h10-12H,5-9,17H2,1-4H3
InChIKeyGXASEIJUQHSYRH-UHFFFAOYSA-N
XLogP3.27
TPSA61.03 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500277.41
LogP ≤ 53.27
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-(3-methoxypyrazin-2-yl)-4-(2-methylbutan-2-yl)cyclohexan-1-amine?
The IUPAC name of 1-(3-methoxypyrazin-2-yl)-4-(2-methylbutan-2-yl)cyclohexan-1-amine (CID 104514762) is 1-(3-methoxypyrazin-2-yl)-4-(2-methylbutan-2-yl)cyclohexan-1-amine.
What is the SMILES notation for 1-(3-methoxypyrazin-2-yl)-4-(2-methylbutan-2-yl)cyclohexan-1-amine?
The canonical SMILES for 1-(3-methoxypyrazin-2-yl)-4-(2-methylbutan-2-yl)cyclohexan-1-amine is CCC(C)(C)C1CCC(N)(c2nccnc2OC)CC1.
What is the InChIKey of 1-(3-methoxypyrazin-2-yl)-4-(2-methylbutan-2-yl)cyclohexan-1-amine?
The InChIKey is GXASEIJUQHSYRH-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H27N3O/c1-5-15(2,3)12-6-8-16(17,9-7-12)13-14(20-4)19-11-10-18-13/h10-12H,5-9,17H2,1-4H3.
What are the key properties of 1-(3-methoxypyrazin-2-yl)-4-(2-methylbutan-2-yl)cyclohexan-1-amine?
1-(3-methoxypyrazin-2-yl)-4-(2-methylbutan-2-yl)cyclohexan-1-amine has a molecular weight of 277.41 g/mol, XLogP of 3.27, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-methoxypyrazin-2-yl)-4-(2-methylbutan-2-yl)cyclohexan-1-amine is sourced from PubChem (CID 104514762), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).