N-methyl-1-(3-methyl-7-oxabicyclo[2.2.1]hept-5-en-2-yl)methanamine;5-methyl-7-oxabicyclo[2.2.1]hept-2-ene

C16H25NO2 — CID 91042879

IUPACN-methyl-1-(3-methyl-7-oxabicyclo[2.2.1]hept-5-en-2-yl)methanamine;5-methyl-7-oxabicyclo[2.2.1]hept-2-ene
SMILESCC1CC2C=CC1O2.CNCC1C2C=CC(O2)C1C
InChIInChI=1S/C9H15NO.C7H10O/c1-6-7(5-10-2)9-4-3-8(6)11-9;1-5-4-6-2-3-7(5)8-6/h3-4,6-10H,5H2,1-2H3;2-3,5-7H,4H2,1H3
InChIKeyCPUMUGCFJPJSSN-UHFFFAOYSA-N
MW263.38 g/mol
LogP2.15
Rot. Bonds2

About N-methyl-1-(3-methyl-7-oxabicyclo[2.2.1]hept-5-en-2-yl)methanamine;5-methyl-7-oxabicyclo[2.2.1]hept-2-ene

N-methyl-1-(3-methyl-7-oxabicyclo[2.2.1]hept-5-en-2-yl)methanamine;5-methyl-7-oxabicyclo[2.2.1]hept-2-ene (PubChem CID 91042879) has the molecular formula C16H25NO2 and a molecular weight of 263.38 g/mol. Its IUPAC name is N-methyl-1-(3-methyl-7-oxabicyclo[2.2.1]hept-5-en-2-yl)methanamine;5-methyl-7-oxabicyclo[2.2.1]hept-2-ene.

Molecular Properties

Compound NameN-methyl-1-(3-methyl-7-oxabicyclo[2.2.1]hept-5-en-2-yl)methanamine;5-methyl-7-oxabicyclo[2.2.1]hept-2-ene
PubChem CID91042879
Molecular FormulaC16H25NO2
Molecular Weight263.38 g/mol
Exact Mass263.19
IUPAC NameN-methyl-1-(3-methyl-7-oxabicyclo[2.2.1]hept-5-en-2-yl)methanamine;5-methyl-7-oxabicyclo[2.2.1]hept-2-ene
SMILESCC1CC2C=CC1O2.CNCC1C2C=CC(O2)C1C
InChIInChI=1S/C9H15NO.C7H10O/c1-6-7(5-10-2)9-4-3-8(6)11-9;1-5-4-6-2-3-7(5)8-6/h3-4,6-10H,5H2,1-2H3;2-3,5-7H,4H2,1H3
InChIKeyCPUMUGCFJPJSSN-UHFFFAOYSA-N
XLogP2.15
TPSA30.49 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500263.38
LogP ≤ 52.15
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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 N-methyl-1-(3-methyl-7-oxabicyclo[2.2.1]hept-5-en-2-yl)methanamine;5-methyl-7-oxabicyclo[2.2.1]hept-2-ene?
The IUPAC name of N-methyl-1-(3-methyl-7-oxabicyclo[2.2.1]hept-5-en-2-yl)methanamine;5-methyl-7-oxabicyclo[2.2.1]hept-2-ene (CID 91042879) is N-methyl-1-(3-methyl-7-oxabicyclo[2.2.1]hept-5-en-2-yl)methanamine;5-methyl-7-oxabicyclo[2.2.1]hept-2-ene.
What is the SMILES notation for N-methyl-1-(3-methyl-7-oxabicyclo[2.2.1]hept-5-en-2-yl)methanamine;5-methyl-7-oxabicyclo[2.2.1]hept-2-ene?
The canonical SMILES for N-methyl-1-(3-methyl-7-oxabicyclo[2.2.1]hept-5-en-2-yl)methanamine;5-methyl-7-oxabicyclo[2.2.1]hept-2-ene is CC1CC2C=CC1O2.CNCC1C2C=CC(O2)C1C.
What is the InChIKey of N-methyl-1-(3-methyl-7-oxabicyclo[2.2.1]hept-5-en-2-yl)methanamine;5-methyl-7-oxabicyclo[2.2.1]hept-2-ene?
The InChIKey is CPUMUGCFJPJSSN-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H15NO.C7H10O/c1-6-7(5-10-2)9-4-3-8(6)11-9;1-5-4-6-2-3-7(5)8-6/h3-4,6-10H,5H2,1-2H3;2-3,5-7H,4H2,1H3.
What are the key properties of N-methyl-1-(3-methyl-7-oxabicyclo[2.2.1]hept-5-en-2-yl)methanamine;5-methyl-7-oxabicyclo[2.2.1]hept-2-ene?
N-methyl-1-(3-methyl-7-oxabicyclo[2.2.1]hept-5-en-2-yl)methanamine;5-methyl-7-oxabicyclo[2.2.1]hept-2-ene has a molecular weight of 263.38 g/mol, XLogP of 2.15, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-1-(3-methyl-7-oxabicyclo[2.2.1]hept-5-en-2-yl)methanamine;5-methyl-7-oxabicyclo[2.2.1]hept-2-ene is sourced from PubChem (CID 91042879), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).