2-methyl-N-[[6-[(6-methylcyclohex-3-en-1-yl)methoxy]pyrazin-2-yl]methyl]propan-2-amine

C17H27N3O — CID 66450992

IUPAC2-methyl-N-[[6-[(6-methylcyclohex-3-en-1-yl)methoxy]pyrazin-2-yl]methyl]propan-2-amine
SMILESCC1CC=CCC1COc1cncc(CNC(C)(C)C)n1
InChIInChI=1S/C17H27N3O/c1-13-7-5-6-8-14(13)12-21-16-11-18-9-15(20-16)10-19-17(2,3)4/h5-6,9,11,13-14,19H,7-8,10,12H2,1-4H3
InChIKeyZVGMLFZMGBHOFK-UHFFFAOYSA-N
MW289.42 g/mol
LogP3.35
Rot. Bonds5

About 2-methyl-N-[[6-[(6-methylcyclohex-3-en-1-yl)methoxy]pyrazin-2-yl]methyl]propan-2-amine

2-methyl-N-[[6-[(6-methylcyclohex-3-en-1-yl)methoxy]pyrazin-2-yl]methyl]propan-2-amine (PubChem CID 66450992) has the molecular formula C17H27N3O and a molecular weight of 289.42 g/mol. Its IUPAC name is 2-methyl-N-[[6-[(6-methylcyclohex-3-en-1-yl)methoxy]pyrazin-2-yl]methyl]propan-2-amine.

Molecular Properties

Compound Name2-methyl-N-[[6-[(6-methylcyclohex-3-en-1-yl)methoxy]pyrazin-2-yl]methyl]propan-2-amine
PubChem CID66450992
Molecular FormulaC17H27N3O
Molecular Weight289.42 g/mol
Exact Mass289.22
IUPAC Name2-methyl-N-[[6-[(6-methylcyclohex-3-en-1-yl)methoxy]pyrazin-2-yl]methyl]propan-2-amine
SMILESCC1CC=CCC1COc1cncc(CNC(C)(C)C)n1
InChIInChI=1S/C17H27N3O/c1-13-7-5-6-8-14(13)12-21-16-11-18-9-15(20-16)10-19-17(2,3)4/h5-6,9,11,13-14,19H,7-8,10,12H2,1-4H3
InChIKeyZVGMLFZMGBHOFK-UHFFFAOYSA-N
XLogP3.35
TPSA47.04 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500289.42
LogP ≤ 53.35
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2-methyl-N-[[6-[(6-methylcyclohex-3-en-1-yl)methoxy]pyrazin-2-yl]methyl]propan-2-amine?
The IUPAC name of 2-methyl-N-[[6-[(6-methylcyclohex-3-en-1-yl)methoxy]pyrazin-2-yl]methyl]propan-2-amine (CID 66450992) is 2-methyl-N-[[6-[(6-methylcyclohex-3-en-1-yl)methoxy]pyrazin-2-yl]methyl]propan-2-amine.
What is the SMILES notation for 2-methyl-N-[[6-[(6-methylcyclohex-3-en-1-yl)methoxy]pyrazin-2-yl]methyl]propan-2-amine?
The canonical SMILES for 2-methyl-N-[[6-[(6-methylcyclohex-3-en-1-yl)methoxy]pyrazin-2-yl]methyl]propan-2-amine is CC1CC=CCC1COc1cncc(CNC(C)(C)C)n1.
What is the InChIKey of 2-methyl-N-[[6-[(6-methylcyclohex-3-en-1-yl)methoxy]pyrazin-2-yl]methyl]propan-2-amine?
The InChIKey is ZVGMLFZMGBHOFK-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H27N3O/c1-13-7-5-6-8-14(13)12-21-16-11-18-9-15(20-16)10-19-17(2,3)4/h5-6,9,11,13-14,19H,7-8,10,12H2,1-4H3.
What are the key properties of 2-methyl-N-[[6-[(6-methylcyclohex-3-en-1-yl)methoxy]pyrazin-2-yl]methyl]propan-2-amine?
2-methyl-N-[[6-[(6-methylcyclohex-3-en-1-yl)methoxy]pyrazin-2-yl]methyl]propan-2-amine has a molecular weight of 289.42 g/mol, XLogP of 3.35, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-N-[[6-[(6-methylcyclohex-3-en-1-yl)methoxy]pyrazin-2-yl]methyl]propan-2-amine is sourced from PubChem (CID 66450992), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).