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

C13H21N3O — CID 104514811

IUPAC1-(3-methoxypyrazin-2-yl)-2,3-dimethylcyclohexan-1-amine
SMILESCOc1nccnc1C1(N)CCCC(C)C1C
InChIInChI=1S/C13H21N3O/c1-9-5-4-6-13(14,10(9)2)11-12(17-3)16-8-7-15-11/h7-10H,4-6,14H2,1-3H3
InChIKeyVRCGRVIPMAQPHH-UHFFFAOYSA-N
MW235.33 g/mol
LogP2.10
Rot. Bonds2

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

1-(3-methoxypyrazin-2-yl)-2,3-dimethylcyclohexan-1-amine (PubChem CID 104514811) has the molecular formula C13H21N3O and a molecular weight of 235.33 g/mol. Its IUPAC name is 1-(3-methoxypyrazin-2-yl)-2,3-dimethylcyclohexan-1-amine.

Molecular Properties

Compound Name1-(3-methoxypyrazin-2-yl)-2,3-dimethylcyclohexan-1-amine
PubChem CID104514811
Molecular FormulaC13H21N3O
Molecular Weight235.33 g/mol
Exact Mass235.17
IUPAC Name1-(3-methoxypyrazin-2-yl)-2,3-dimethylcyclohexan-1-amine
SMILESCOc1nccnc1C1(N)CCCC(C)C1C
InChIInChI=1S/C13H21N3O/c1-9-5-4-6-13(14,10(9)2)11-12(17-3)16-8-7-15-11/h7-10H,4-6,14H2,1-3H3
InChIKeyVRCGRVIPMAQPHH-UHFFFAOYSA-N
XLogP2.10
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 ≤ 52.10
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)-2,3-dimethylcyclohexan-1-amine?
The IUPAC name of 1-(3-methoxypyrazin-2-yl)-2,3-dimethylcyclohexan-1-amine (CID 104514811) is 1-(3-methoxypyrazin-2-yl)-2,3-dimethylcyclohexan-1-amine.
What is the SMILES notation for 1-(3-methoxypyrazin-2-yl)-2,3-dimethylcyclohexan-1-amine?
The canonical SMILES for 1-(3-methoxypyrazin-2-yl)-2,3-dimethylcyclohexan-1-amine is COc1nccnc1C1(N)CCCC(C)C1C.
What is the InChIKey of 1-(3-methoxypyrazin-2-yl)-2,3-dimethylcyclohexan-1-amine?
The InChIKey is VRCGRVIPMAQPHH-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H21N3O/c1-9-5-4-6-13(14,10(9)2)11-12(17-3)16-8-7-15-11/h7-10H,4-6,14H2,1-3H3.
What are the key properties of 1-(3-methoxypyrazin-2-yl)-2,3-dimethylcyclohexan-1-amine?
1-(3-methoxypyrazin-2-yl)-2,3-dimethylcyclohexan-1-amine has a molecular weight of 235.33 g/mol, XLogP of 2.10, 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)-2,3-dimethylcyclohexan-1-amine is sourced from PubChem (CID 104514811), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).