2-[(7-ethyl-2-bicyclo[3.3.1]non-6-enyl)oxy]-N,N-dimethylethanamine

C15H27NO — CID 122499079

IUPAC2-[(7-ethyl-2-bicyclo[3.3.1]non-6-enyl)oxy]-N,N-dimethylethanamine
SMILESCCC1=CC2CCC(OCCN(C)C)C(C1)C2
InChIInChI=1S/C15H27NO/c1-4-12-9-13-5-6-15(14(10-12)11-13)17-8-7-16(2)3/h9,13-15H,4-8,10-11H2,1-3H3
InChIKeyJRVGWFIDSHTYCB-UHFFFAOYSA-N
MW237.39 g/mol
LogP3.09
Rot. Bonds5

About 2-[(7-ethyl-2-bicyclo[3.3.1]non-6-enyl)oxy]-N,N-dimethylethanamine

2-[(7-ethyl-2-bicyclo[3.3.1]non-6-enyl)oxy]-N,N-dimethylethanamine (PubChem CID 122499079) has the molecular formula C15H27NO and a molecular weight of 237.39 g/mol. Its IUPAC name is 2-[(7-ethyl-2-bicyclo[3.3.1]non-6-enyl)oxy]-N,N-dimethylethanamine.

Molecular Properties

Compound Name2-[(7-ethyl-2-bicyclo[3.3.1]non-6-enyl)oxy]-N,N-dimethylethanamine
PubChem CID122499079
Molecular FormulaC15H27NO
Molecular Weight237.39 g/mol
Exact Mass237.21
IUPAC Name2-[(7-ethyl-2-bicyclo[3.3.1]non-6-enyl)oxy]-N,N-dimethylethanamine
SMILESCCC1=CC2CCC(OCCN(C)C)C(C1)C2
InChIInChI=1S/C15H27NO/c1-4-12-9-13-5-6-15(14(10-12)11-13)17-8-7-16(2)3/h9,13-15H,4-8,10-11H2,1-3H3
InChIKeyJRVGWFIDSHTYCB-UHFFFAOYSA-N
XLogP3.09
TPSA12.47 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500237.39
LogP ≤ 53.09
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-[(7-ethyl-2-bicyclo[3.3.1]non-6-enyl)oxy]-N,N-dimethylethanamine?
The IUPAC name of 2-[(7-ethyl-2-bicyclo[3.3.1]non-6-enyl)oxy]-N,N-dimethylethanamine (CID 122499079) is 2-[(7-ethyl-2-bicyclo[3.3.1]non-6-enyl)oxy]-N,N-dimethylethanamine.
What is the SMILES notation for 2-[(7-ethyl-2-bicyclo[3.3.1]non-6-enyl)oxy]-N,N-dimethylethanamine?
The canonical SMILES for 2-[(7-ethyl-2-bicyclo[3.3.1]non-6-enyl)oxy]-N,N-dimethylethanamine is CCC1=CC2CCC(OCCN(C)C)C(C1)C2.
What is the InChIKey of 2-[(7-ethyl-2-bicyclo[3.3.1]non-6-enyl)oxy]-N,N-dimethylethanamine?
The InChIKey is JRVGWFIDSHTYCB-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H27NO/c1-4-12-9-13-5-6-15(14(10-12)11-13)17-8-7-16(2)3/h9,13-15H,4-8,10-11H2,1-3H3.
What are the key properties of 2-[(7-ethyl-2-bicyclo[3.3.1]non-6-enyl)oxy]-N,N-dimethylethanamine?
2-[(7-ethyl-2-bicyclo[3.3.1]non-6-enyl)oxy]-N,N-dimethylethanamine has a molecular weight of 237.39 g/mol, XLogP of 3.09, 5 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(7-ethyl-2-bicyclo[3.3.1]non-6-enyl)oxy]-N,N-dimethylethanamine is sourced from PubChem (CID 122499079), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).