1-(3-methoxypyrazin-2-yl)-4,4-dimethylcyclohexan-1-amine

C13H21N3O — CID 113421481

IUPAC1-(3-methoxypyrazin-2-yl)-4,4-dimethylcyclohexan-1-amine
SMILESCOc1nccnc1C1(N)CCC(C)(C)CC1
InChIInChI=1S/C13H21N3O/c1-12(2)4-6-13(14,7-5-12)10-11(17-3)16-9-8-15-10/h8-9H,4-7,14H2,1-3H3
InChIKeyUWIYBENZESCHLB-UHFFFAOYSA-N
MW235.33 g/mol
LogP2.24
Rot. Bonds2

About 1-(3-methoxypyrazin-2-yl)-4,4-dimethylcyclohexan-1-amine

1-(3-methoxypyrazin-2-yl)-4,4-dimethylcyclohexan-1-amine (PubChem CID 113421481) has the molecular formula C13H21N3O and a molecular weight of 235.33 g/mol. Its IUPAC name is 1-(3-methoxypyrazin-2-yl)-4,4-dimethylcyclohexan-1-amine.

Molecular Properties

Compound Name1-(3-methoxypyrazin-2-yl)-4,4-dimethylcyclohexan-1-amine
PubChem CID113421481
Molecular FormulaC13H21N3O
Molecular Weight235.33 g/mol
Exact Mass235.17
IUPAC Name1-(3-methoxypyrazin-2-yl)-4,4-dimethylcyclohexan-1-amine
SMILESCOc1nccnc1C1(N)CCC(C)(C)CC1
InChIInChI=1S/C13H21N3O/c1-12(2)4-6-13(14,7-5-12)10-11(17-3)16-9-8-15-10/h8-9H,4-7,14H2,1-3H3
InChIKeyUWIYBENZESCHLB-UHFFFAOYSA-N
XLogP2.24
TPSA61.03 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500235.33
LogP ≤ 52.24
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)-4,4-dimethylcyclohexan-1-amine?
The IUPAC name of 1-(3-methoxypyrazin-2-yl)-4,4-dimethylcyclohexan-1-amine (CID 113421481) is 1-(3-methoxypyrazin-2-yl)-4,4-dimethylcyclohexan-1-amine.
What is the SMILES notation for 1-(3-methoxypyrazin-2-yl)-4,4-dimethylcyclohexan-1-amine?
The canonical SMILES for 1-(3-methoxypyrazin-2-yl)-4,4-dimethylcyclohexan-1-amine is COc1nccnc1C1(N)CCC(C)(C)CC1.
What is the InChIKey of 1-(3-methoxypyrazin-2-yl)-4,4-dimethylcyclohexan-1-amine?
The InChIKey is UWIYBENZESCHLB-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H21N3O/c1-12(2)4-6-13(14,7-5-12)10-11(17-3)16-9-8-15-10/h8-9H,4-7,14H2,1-3H3.
What are the key properties of 1-(3-methoxypyrazin-2-yl)-4,4-dimethylcyclohexan-1-amine?
1-(3-methoxypyrazin-2-yl)-4,4-dimethylcyclohexan-1-amine has a molecular weight of 235.33 g/mol, XLogP of 2.24, 2 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)-4,4-dimethylcyclohexan-1-amine is sourced from PubChem (CID 113421481), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).