6-[[2-methoxyethyl(prop-2-enyl)amino]methyl]-7,7-dimethyl-2-oxabicyclo[3.2.0]heptan-6-amine

C15H28N2O2 — CID 103339463

IUPAC6-[[2-methoxyethyl(prop-2-enyl)amino]methyl]-7,7-dimethyl-2-oxabicyclo[3.2.0]heptan-6-amine
SMILESC=CCN(CCOC)CC1(N)C2CCOC2C1(C)C
InChIInChI=1S/C15H28N2O2/c1-5-7-17(8-10-18-4)11-15(16)12-6-9-19-13(12)14(15,2)3/h5,12-13H,1,6-11,16H2,2-4H3
InChIKeyMOBQRBLSRSKLIY-UHFFFAOYSA-N
MW268.40 g/mol
LogP1.26
Rot. Bonds7

About 6-[[2-methoxyethyl(prop-2-enyl)amino]methyl]-7,7-dimethyl-2-oxabicyclo[3.2.0]heptan-6-amine

6-[[2-methoxyethyl(prop-2-enyl)amino]methyl]-7,7-dimethyl-2-oxabicyclo[3.2.0]heptan-6-amine (PubChem CID 103339463) has the molecular formula C15H28N2O2 and a molecular weight of 268.40 g/mol. Its IUPAC name is 6-[[2-methoxyethyl(prop-2-enyl)amino]methyl]-7,7-dimethyl-2-oxabicyclo[3.2.0]heptan-6-amine.

Molecular Properties

Compound Name6-[[2-methoxyethyl(prop-2-enyl)amino]methyl]-7,7-dimethyl-2-oxabicyclo[3.2.0]heptan-6-amine
PubChem CID103339463
Molecular FormulaC15H28N2O2
Molecular Weight268.40 g/mol
Exact Mass268.22
IUPAC Name6-[[2-methoxyethyl(prop-2-enyl)amino]methyl]-7,7-dimethyl-2-oxabicyclo[3.2.0]heptan-6-amine
SMILESC=CCN(CCOC)CC1(N)C2CCOC2C1(C)C
InChIInChI=1S/C15H28N2O2/c1-5-7-17(8-10-18-4)11-15(16)12-6-9-19-13(12)14(15,2)3/h5,12-13H,1,6-11,16H2,2-4H3
InChIKeyMOBQRBLSRSKLIY-UHFFFAOYSA-N
XLogP1.26
TPSA47.72 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500268.40
LogP ≤ 51.26
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 6-[[2-methoxyethyl(prop-2-enyl)amino]methyl]-7,7-dimethyl-2-oxabicyclo[3.2.0]heptan-6-amine?
The IUPAC name of 6-[[2-methoxyethyl(prop-2-enyl)amino]methyl]-7,7-dimethyl-2-oxabicyclo[3.2.0]heptan-6-amine (CID 103339463) is 6-[[2-methoxyethyl(prop-2-enyl)amino]methyl]-7,7-dimethyl-2-oxabicyclo[3.2.0]heptan-6-amine.
What is the SMILES notation for 6-[[2-methoxyethyl(prop-2-enyl)amino]methyl]-7,7-dimethyl-2-oxabicyclo[3.2.0]heptan-6-amine?
The canonical SMILES for 6-[[2-methoxyethyl(prop-2-enyl)amino]methyl]-7,7-dimethyl-2-oxabicyclo[3.2.0]heptan-6-amine is C=CCN(CCOC)CC1(N)C2CCOC2C1(C)C.
What is the InChIKey of 6-[[2-methoxyethyl(prop-2-enyl)amino]methyl]-7,7-dimethyl-2-oxabicyclo[3.2.0]heptan-6-amine?
The InChIKey is MOBQRBLSRSKLIY-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H28N2O2/c1-5-7-17(8-10-18-4)11-15(16)12-6-9-19-13(12)14(15,2)3/h5,12-13H,1,6-11,16H2,2-4H3.
What are the key properties of 6-[[2-methoxyethyl(prop-2-enyl)amino]methyl]-7,7-dimethyl-2-oxabicyclo[3.2.0]heptan-6-amine?
6-[[2-methoxyethyl(prop-2-enyl)amino]methyl]-7,7-dimethyl-2-oxabicyclo[3.2.0]heptan-6-amine has a molecular weight of 268.40 g/mol, XLogP of 1.26, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[[2-methoxyethyl(prop-2-enyl)amino]methyl]-7,7-dimethyl-2-oxabicyclo[3.2.0]heptan-6-amine is sourced from PubChem (CID 103339463), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).