N-methyl-6-[(3-methylcyclohexyl)methoxy]pyrazin-2-amine

C13H21N3O — CID 114197434

IUPACN-methyl-6-[(3-methylcyclohexyl)methoxy]pyrazin-2-amine
SMILESCNc1cncc(OCC2CCCC(C)C2)n1
InChIInChI=1S/C13H21N3O/c1-10-4-3-5-11(6-10)9-17-13-8-15-7-12(14-2)16-13/h7-8,10-11H,3-6,9H2,1-2H3,(H,14,16)
InChIKeyGUAYQWPPKSVJBD-UHFFFAOYSA-N
MW235.33 g/mol
LogP2.72
Rot. Bonds4

About N-methyl-6-[(3-methylcyclohexyl)methoxy]pyrazin-2-amine

N-methyl-6-[(3-methylcyclohexyl)methoxy]pyrazin-2-amine (PubChem CID 114197434) has the molecular formula C13H21N3O and a molecular weight of 235.33 g/mol. Its IUPAC name is N-methyl-6-[(3-methylcyclohexyl)methoxy]pyrazin-2-amine.

Molecular Properties

Compound NameN-methyl-6-[(3-methylcyclohexyl)methoxy]pyrazin-2-amine
PubChem CID114197434
Molecular FormulaC13H21N3O
Molecular Weight235.33 g/mol
Exact Mass235.17
IUPAC NameN-methyl-6-[(3-methylcyclohexyl)methoxy]pyrazin-2-amine
SMILESCNc1cncc(OCC2CCCC(C)C2)n1
InChIInChI=1S/C13H21N3O/c1-10-4-3-5-11(6-10)9-17-13-8-15-7-12(14-2)16-13/h7-8,10-11H,3-6,9H2,1-2H3,(H,14,16)
InChIKeyGUAYQWPPKSVJBD-UHFFFAOYSA-N
XLogP2.72
TPSA47.04 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500235.33
LogP ≤ 52.72
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-methyl-6-[(3-methylcyclohexyl)methoxy]pyrazin-2-amine?
The IUPAC name of N-methyl-6-[(3-methylcyclohexyl)methoxy]pyrazin-2-amine (CID 114197434) is N-methyl-6-[(3-methylcyclohexyl)methoxy]pyrazin-2-amine.
What is the SMILES notation for N-methyl-6-[(3-methylcyclohexyl)methoxy]pyrazin-2-amine?
The canonical SMILES for N-methyl-6-[(3-methylcyclohexyl)methoxy]pyrazin-2-amine is CNc1cncc(OCC2CCCC(C)C2)n1.
What is the InChIKey of N-methyl-6-[(3-methylcyclohexyl)methoxy]pyrazin-2-amine?
The InChIKey is GUAYQWPPKSVJBD-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H21N3O/c1-10-4-3-5-11(6-10)9-17-13-8-15-7-12(14-2)16-13/h7-8,10-11H,3-6,9H2,1-2H3,(H,14,16).
What are the key properties of N-methyl-6-[(3-methylcyclohexyl)methoxy]pyrazin-2-amine?
N-methyl-6-[(3-methylcyclohexyl)methoxy]pyrazin-2-amine has a molecular weight of 235.33 g/mol, XLogP of 2.72, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-6-[(3-methylcyclohexyl)methoxy]pyrazin-2-amine is sourced from PubChem (CID 114197434), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).