N-(2-ethenyl-6-methoxy-2-methylhexyl)cyclopropanamine

C13H25NO — CID 102641266

IUPACN-(2-ethenyl-6-methoxy-2-methylhexyl)cyclopropanamine
SMILESC=CC(C)(CCCCOC)CNC1CC1
InChIInChI=1S/C13H25NO/c1-4-13(2,9-5-6-10-15-3)11-14-12-7-8-12/h4,12,14H,1,5-11H2,2-3H3
InChIKeySCNVZTJPXVAQMI-UHFFFAOYSA-N
MW211.35 g/mol
LogP2.75
Rot. Bonds9

About N-(2-ethenyl-6-methoxy-2-methylhexyl)cyclopropanamine

N-(2-ethenyl-6-methoxy-2-methylhexyl)cyclopropanamine (PubChem CID 102641266) has the molecular formula C13H25NO and a molecular weight of 211.35 g/mol. Its IUPAC name is N-(2-ethenyl-6-methoxy-2-methylhexyl)cyclopropanamine.

Molecular Properties

Compound NameN-(2-ethenyl-6-methoxy-2-methylhexyl)cyclopropanamine
PubChem CID102641266
Molecular FormulaC13H25NO
Molecular Weight211.35 g/mol
Exact Mass211.19
IUPAC NameN-(2-ethenyl-6-methoxy-2-methylhexyl)cyclopropanamine
SMILESC=CC(C)(CCCCOC)CNC1CC1
InChIInChI=1S/C13H25NO/c1-4-13(2,9-5-6-10-15-3)11-14-12-7-8-12/h4,12,14H,1,5-11H2,2-3H3
InChIKeySCNVZTJPXVAQMI-UHFFFAOYSA-N
XLogP2.75
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds9
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500211.35
LogP ≤ 52.75
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of N-(2-ethenyl-6-methoxy-2-methylhexyl)cyclopropanamine?
The IUPAC name of N-(2-ethenyl-6-methoxy-2-methylhexyl)cyclopropanamine (CID 102641266) is N-(2-ethenyl-6-methoxy-2-methylhexyl)cyclopropanamine.
What is the SMILES notation for N-(2-ethenyl-6-methoxy-2-methylhexyl)cyclopropanamine?
The canonical SMILES for N-(2-ethenyl-6-methoxy-2-methylhexyl)cyclopropanamine is C=CC(C)(CCCCOC)CNC1CC1.
What is the InChIKey of N-(2-ethenyl-6-methoxy-2-methylhexyl)cyclopropanamine?
The InChIKey is SCNVZTJPXVAQMI-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H25NO/c1-4-13(2,9-5-6-10-15-3)11-14-12-7-8-12/h4,12,14H,1,5-11H2,2-3H3.
What are the key properties of N-(2-ethenyl-6-methoxy-2-methylhexyl)cyclopropanamine?
N-(2-ethenyl-6-methoxy-2-methylhexyl)cyclopropanamine has a molecular weight of 211.35 g/mol, XLogP of 2.75, 9 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-ethenyl-6-methoxy-2-methylhexyl)cyclopropanamine is sourced from PubChem (CID 102641266), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).