7-[[ethyl(2-methylprop-2-enyl)amino]methyl]-8,8-dimethyl-2-oxabicyclo[4.2.0]octan-7-amine

C16H30N2O — CID 114947199

IUPAC7-[[ethyl(2-methylprop-2-enyl)amino]methyl]-8,8-dimethyl-2-oxabicyclo[4.2.0]octan-7-amine
SMILESC=C(C)CN(CC)CC1(N)C2CCCOC2C1(C)C
InChIInChI=1S/C16H30N2O/c1-6-18(10-12(2)3)11-16(17)13-8-7-9-19-14(13)15(16,4)5/h13-14H,2,6-11,17H2,1,3-5H3
InChIKeyIXLBIMDUSXFQKO-UHFFFAOYSA-N
MW266.43 g/mol
LogP2.42
Rot. Bonds5

About 7-[[ethyl(2-methylprop-2-enyl)amino]methyl]-8,8-dimethyl-2-oxabicyclo[4.2.0]octan-7-amine

7-[[ethyl(2-methylprop-2-enyl)amino]methyl]-8,8-dimethyl-2-oxabicyclo[4.2.0]octan-7-amine (PubChem CID 114947199) has the molecular formula C16H30N2O and a molecular weight of 266.43 g/mol. Its IUPAC name is 7-[[ethyl(2-methylprop-2-enyl)amino]methyl]-8,8-dimethyl-2-oxabicyclo[4.2.0]octan-7-amine.

Molecular Properties

Compound Name7-[[ethyl(2-methylprop-2-enyl)amino]methyl]-8,8-dimethyl-2-oxabicyclo[4.2.0]octan-7-amine
PubChem CID114947199
Molecular FormulaC16H30N2O
Molecular Weight266.43 g/mol
Exact Mass266.24
IUPAC Name7-[[ethyl(2-methylprop-2-enyl)amino]methyl]-8,8-dimethyl-2-oxabicyclo[4.2.0]octan-7-amine
SMILESC=C(C)CN(CC)CC1(N)C2CCCOC2C1(C)C
InChIInChI=1S/C16H30N2O/c1-6-18(10-12(2)3)11-16(17)13-8-7-9-19-14(13)15(16,4)5/h13-14H,2,6-11,17H2,1,3-5H3
InChIKeyIXLBIMDUSXFQKO-UHFFFAOYSA-N
XLogP2.42
TPSA38.49 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.43
LogP ≤ 52.42
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze 7-[[ethyl(2-methylprop-2-enyl)amino]methyl]-8,8-dimethyl-2-oxabicyclo[4.2.0]octan-7-amine with MolForge

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Related Compounds

6-(diethylaminomethyl)-7,7-dimethyl-2-oxabicyclo[3.2.0]heptan-6-amine
CID 114947080
7-[[ethyl(propan-2-yl)amino]methyl]-8,8-dimethyl-2-oxabicyclo[4.2.0]octan-7-amine
CID 114947232
8,8-dimethyl-7-[[propyl(2,2,2-trifluoroethyl)amino]methyl]-2-oxabicyclo[4.2.0]octan-7-amine
CID 114947733
2-N-[(7-amino-8,8-dimethyl-2-oxabicyclo[4.2.0]octan-7-yl)methyl]-2-N-ethyl-1-N,1-N-dimethylpropane-1,2-diamine
CID 103189448
7-[[ethyl(1-methoxypropan-2-yl)amino]methyl]-8,8-dimethyl-2-oxabicyclo[4.2.0]octan-7-amine
CID 114947719
7-[[(2S,6R)-2,6-dimethylpiperidin-1-yl]methyl]-8,8-dimethyl-2-oxabicyclo[4.2.0]octan-7-amine
CID 104985317
8,8-dimethyl-7-[[methyl(oxolan-3-yl)amino]methyl]-2-oxabicyclo[4.2.0]octan-7-amine
CID 114948287
8,8-dimethyl-7-[[methyl(1-methylsulfanylbutan-2-yl)amino]methyl]-2-oxabicyclo[4.2.0]octan-7-amine
CID 114948308
8,8-dimethyl-7-(1,4-oxazepan-4-ylmethyl)-2-oxabicyclo[4.2.0]octan-7-amine
CID 114947899
7-[(N,4-dimethylanilino)methyl]-8,8-dimethyl-2-oxabicyclo[4.2.0]octan-7-amine
CID 114947818
7-[(2-ethylazepan-1-yl)methyl]-8,8-dimethyl-2-oxabicyclo[4.2.0]octan-7-amine
CID 114948331
7-amino-N-(2-amino-2-oxoethyl)-N-ethyl-8,8-dimethyl-2-oxabicyclo[4.2.0]octane-7-carboxamide
CID 103101969

Frequently Asked Questions

What is the IUPAC name of 7-[[ethyl(2-methylprop-2-enyl)amino]methyl]-8,8-dimethyl-2-oxabicyclo[4.2.0]octan-7-amine?
The IUPAC name of 7-[[ethyl(2-methylprop-2-enyl)amino]methyl]-8,8-dimethyl-2-oxabicyclo[4.2.0]octan-7-amine (CID 114947199) is 7-[[ethyl(2-methylprop-2-enyl)amino]methyl]-8,8-dimethyl-2-oxabicyclo[4.2.0]octan-7-amine.
What is the SMILES notation for 7-[[ethyl(2-methylprop-2-enyl)amino]methyl]-8,8-dimethyl-2-oxabicyclo[4.2.0]octan-7-amine?
The canonical SMILES for 7-[[ethyl(2-methylprop-2-enyl)amino]methyl]-8,8-dimethyl-2-oxabicyclo[4.2.0]octan-7-amine is C=C(C)CN(CC)CC1(N)C2CCCOC2C1(C)C.
What is the InChIKey of 7-[[ethyl(2-methylprop-2-enyl)amino]methyl]-8,8-dimethyl-2-oxabicyclo[4.2.0]octan-7-amine?
The InChIKey is IXLBIMDUSXFQKO-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H30N2O/c1-6-18(10-12(2)3)11-16(17)13-8-7-9-19-14(13)15(16,4)5/h13-14H,2,6-11,17H2,1,3-5H3.
What are the key properties of 7-[[ethyl(2-methylprop-2-enyl)amino]methyl]-8,8-dimethyl-2-oxabicyclo[4.2.0]octan-7-amine?
7-[[ethyl(2-methylprop-2-enyl)amino]methyl]-8,8-dimethyl-2-oxabicyclo[4.2.0]octan-7-amine has a molecular weight of 266.43 g/mol, XLogP of 2.42, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 7-[[ethyl(2-methylprop-2-enyl)amino]methyl]-8,8-dimethyl-2-oxabicyclo[4.2.0]octan-7-amine is sourced from PubChem (CID 114947199), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).