2-methoxy-N-methyl-N-[(6-methylcyclohexen-1-yl)methyl]ethanamine

C12H23NO — CID 145141285

IUPAC2-methoxy-N-methyl-N-[(6-methylcyclohexen-1-yl)methyl]ethanamine
SMILESCOCCN(C)CC1=CCCCC1C
InChIInChI=1S/C12H23NO/c1-11-6-4-5-7-12(11)10-13(2)8-9-14-3/h7,11H,4-6,8-10H2,1-3H3
InChIKeyYVODICWLCLSSQM-UHFFFAOYSA-N
MW197.32 g/mol
LogP2.31
Rot. Bonds5

About 2-methoxy-N-methyl-N-[(6-methylcyclohexen-1-yl)methyl]ethanamine

2-methoxy-N-methyl-N-[(6-methylcyclohexen-1-yl)methyl]ethanamine (PubChem CID 145141285) has the molecular formula C12H23NO and a molecular weight of 197.32 g/mol. Its IUPAC name is 2-methoxy-N-methyl-N-[(6-methylcyclohexen-1-yl)methyl]ethanamine.

Molecular Properties

Compound Name2-methoxy-N-methyl-N-[(6-methylcyclohexen-1-yl)methyl]ethanamine
PubChem CID145141285
Molecular FormulaC12H23NO
Molecular Weight197.32 g/mol
Exact Mass197.18
IUPAC Name2-methoxy-N-methyl-N-[(6-methylcyclohexen-1-yl)methyl]ethanamine
SMILESCOCCN(C)CC1=CCCCC1C
InChIInChI=1S/C12H23NO/c1-11-6-4-5-7-12(11)10-13(2)8-9-14-3/h7,11H,4-6,8-10H2,1-3H3
InChIKeyYVODICWLCLSSQM-UHFFFAOYSA-N
XLogP2.31
TPSA12.47 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500197.32
LogP ≤ 52.31
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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-methoxy-N-methyl-N-[(6-methylcyclohexen-1-yl)methyl]ethanamine?
The IUPAC name of 2-methoxy-N-methyl-N-[(6-methylcyclohexen-1-yl)methyl]ethanamine (CID 145141285) is 2-methoxy-N-methyl-N-[(6-methylcyclohexen-1-yl)methyl]ethanamine.
What is the SMILES notation for 2-methoxy-N-methyl-N-[(6-methylcyclohexen-1-yl)methyl]ethanamine?
The canonical SMILES for 2-methoxy-N-methyl-N-[(6-methylcyclohexen-1-yl)methyl]ethanamine is COCCN(C)CC1=CCCCC1C.
What is the InChIKey of 2-methoxy-N-methyl-N-[(6-methylcyclohexen-1-yl)methyl]ethanamine?
The InChIKey is YVODICWLCLSSQM-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H23NO/c1-11-6-4-5-7-12(11)10-13(2)8-9-14-3/h7,11H,4-6,8-10H2,1-3H3.
What are the key properties of 2-methoxy-N-methyl-N-[(6-methylcyclohexen-1-yl)methyl]ethanamine?
2-methoxy-N-methyl-N-[(6-methylcyclohexen-1-yl)methyl]ethanamine has a molecular weight of 197.32 g/mol, XLogP of 2.31, 5 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methoxy-N-methyl-N-[(6-methylcyclohexen-1-yl)methyl]ethanamine is sourced from PubChem (CID 145141285), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).