8,8-dimethyl-N-(1-morpholin-4-ylpropan-2-yl)-2-oxabicyclo[4.2.0]octan-7-amine

C16H30N2O2 — CID 64865165

IUPAC8,8-dimethyl-N-(1-morpholin-4-ylpropan-2-yl)-2-oxabicyclo[4.2.0]octan-7-amine
SMILESCC(CN1CCOCC1)NC1C2CCCOC2C1(C)C
InChIInChI=1S/C16H30N2O2/c1-12(11-18-6-9-19-10-7-18)17-14-13-5-4-8-20-15(13)16(14,2)3/h12-15,17H,4-11H2,1-3H3
InChIKeyNJVXRNNTOLPAMN-UHFFFAOYSA-N
MW282.43 g/mol
LogP1.50
Rot. Bonds4

About 8,8-dimethyl-N-(1-morpholin-4-ylpropan-2-yl)-2-oxabicyclo[4.2.0]octan-7-amine

8,8-dimethyl-N-(1-morpholin-4-ylpropan-2-yl)-2-oxabicyclo[4.2.0]octan-7-amine (PubChem CID 64865165) has the molecular formula C16H30N2O2 and a molecular weight of 282.43 g/mol. Its IUPAC name is 8,8-dimethyl-N-(1-morpholin-4-ylpropan-2-yl)-2-oxabicyclo[4.2.0]octan-7-amine.

Molecular Properties

Compound Name8,8-dimethyl-N-(1-morpholin-4-ylpropan-2-yl)-2-oxabicyclo[4.2.0]octan-7-amine
PubChem CID64865165
Molecular FormulaC16H30N2O2
Molecular Weight282.43 g/mol
Exact Mass282.23
IUPAC Name8,8-dimethyl-N-(1-morpholin-4-ylpropan-2-yl)-2-oxabicyclo[4.2.0]octan-7-amine
SMILESCC(CN1CCOCC1)NC1C2CCCOC2C1(C)C
InChIInChI=1S/C16H30N2O2/c1-12(11-18-6-9-19-10-7-18)17-14-13-5-4-8-20-15(13)16(14,2)3/h12-15,17H,4-11H2,1-3H3
InChIKeyNJVXRNNTOLPAMN-UHFFFAOYSA-N
XLogP1.50
TPSA33.73 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.43
LogP ≤ 51.50
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 8,8-dimethyl-N-(1-morpholin-4-ylpropan-2-yl)-2-oxabicyclo[4.2.0]octan-7-amine?
The IUPAC name of 8,8-dimethyl-N-(1-morpholin-4-ylpropan-2-yl)-2-oxabicyclo[4.2.0]octan-7-amine (CID 64865165) is 8,8-dimethyl-N-(1-morpholin-4-ylpropan-2-yl)-2-oxabicyclo[4.2.0]octan-7-amine.
What is the SMILES notation for 8,8-dimethyl-N-(1-morpholin-4-ylpropan-2-yl)-2-oxabicyclo[4.2.0]octan-7-amine?
The canonical SMILES for 8,8-dimethyl-N-(1-morpholin-4-ylpropan-2-yl)-2-oxabicyclo[4.2.0]octan-7-amine is CC(CN1CCOCC1)NC1C2CCCOC2C1(C)C.
What is the InChIKey of 8,8-dimethyl-N-(1-morpholin-4-ylpropan-2-yl)-2-oxabicyclo[4.2.0]octan-7-amine?
The InChIKey is NJVXRNNTOLPAMN-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H30N2O2/c1-12(11-18-6-9-19-10-7-18)17-14-13-5-4-8-20-15(13)16(14,2)3/h12-15,17H,4-11H2,1-3H3.
What are the key properties of 8,8-dimethyl-N-(1-morpholin-4-ylpropan-2-yl)-2-oxabicyclo[4.2.0]octan-7-amine?
8,8-dimethyl-N-(1-morpholin-4-ylpropan-2-yl)-2-oxabicyclo[4.2.0]octan-7-amine has a molecular weight of 282.43 g/mol, XLogP of 1.50, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 8,8-dimethyl-N-(1-morpholin-4-ylpropan-2-yl)-2-oxabicyclo[4.2.0]octan-7-amine is sourced from PubChem (CID 64865165), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).