7-[(3-ethylmorpholin-4-yl)methyl]-8,8-dimethyl-2-oxabicyclo[4.2.0]octan-7-amine

C16H30N2O2 — CID 114947324

IUPAC7-[(3-ethylmorpholin-4-yl)methyl]-8,8-dimethyl-2-oxabicyclo[4.2.0]octan-7-amine
SMILESCCC1COCCN1CC1(N)C2CCCOC2C1(C)C
InChIInChI=1S/C16H30N2O2/c1-4-12-10-19-9-7-18(12)11-16(17)13-6-5-8-20-14(13)15(16,2)3/h12-14H,4-11,17H2,1-3H3
InChIKeyGIOGZVBVJUYJOS-UHFFFAOYSA-N
MW282.43 g/mol
LogP1.63
Rot. Bonds3

About 7-[(3-ethylmorpholin-4-yl)methyl]-8,8-dimethyl-2-oxabicyclo[4.2.0]octan-7-amine

7-[(3-ethylmorpholin-4-yl)methyl]-8,8-dimethyl-2-oxabicyclo[4.2.0]octan-7-amine (PubChem CID 114947324) has the molecular formula C16H30N2O2 and a molecular weight of 282.43 g/mol. Its IUPAC name is 7-[(3-ethylmorpholin-4-yl)methyl]-8,8-dimethyl-2-oxabicyclo[4.2.0]octan-7-amine.

Molecular Properties

Compound Name7-[(3-ethylmorpholin-4-yl)methyl]-8,8-dimethyl-2-oxabicyclo[4.2.0]octan-7-amine
PubChem CID114947324
Molecular FormulaC16H30N2O2
Molecular Weight282.43 g/mol
Exact Mass282.23
IUPAC Name7-[(3-ethylmorpholin-4-yl)methyl]-8,8-dimethyl-2-oxabicyclo[4.2.0]octan-7-amine
SMILESCCC1COCCN1CC1(N)C2CCCOC2C1(C)C
InChIInChI=1S/C16H30N2O2/c1-4-12-10-19-9-7-18(12)11-16(17)13-6-5-8-20-14(13)15(16,2)3/h12-14H,4-11,17H2,1-3H3
InChIKeyGIOGZVBVJUYJOS-UHFFFAOYSA-N
XLogP1.63
TPSA47.72 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.43
LogP ≤ 51.63
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 7-[(3-ethylmorpholin-4-yl)methyl]-8,8-dimethyl-2-oxabicyclo[4.2.0]octan-7-amine?
The IUPAC name of 7-[(3-ethylmorpholin-4-yl)methyl]-8,8-dimethyl-2-oxabicyclo[4.2.0]octan-7-amine (CID 114947324) is 7-[(3-ethylmorpholin-4-yl)methyl]-8,8-dimethyl-2-oxabicyclo[4.2.0]octan-7-amine.
What is the SMILES notation for 7-[(3-ethylmorpholin-4-yl)methyl]-8,8-dimethyl-2-oxabicyclo[4.2.0]octan-7-amine?
The canonical SMILES for 7-[(3-ethylmorpholin-4-yl)methyl]-8,8-dimethyl-2-oxabicyclo[4.2.0]octan-7-amine is CCC1COCCN1CC1(N)C2CCCOC2C1(C)C.
What is the InChIKey of 7-[(3-ethylmorpholin-4-yl)methyl]-8,8-dimethyl-2-oxabicyclo[4.2.0]octan-7-amine?
The InChIKey is GIOGZVBVJUYJOS-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H30N2O2/c1-4-12-10-19-9-7-18(12)11-16(17)13-6-5-8-20-14(13)15(16,2)3/h12-14H,4-11,17H2,1-3H3.
What are the key properties of 7-[(3-ethylmorpholin-4-yl)methyl]-8,8-dimethyl-2-oxabicyclo[4.2.0]octan-7-amine?
7-[(3-ethylmorpholin-4-yl)methyl]-8,8-dimethyl-2-oxabicyclo[4.2.0]octan-7-amine has a molecular weight of 282.43 g/mol, XLogP of 1.63, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 7-[(3-ethylmorpholin-4-yl)methyl]-8,8-dimethyl-2-oxabicyclo[4.2.0]octan-7-amine is sourced from PubChem (CID 114947324), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).