morpholin-4-yl-[(1R,5S)-1,8,8-trimethyl-3-azabicyclo[3.2.1]octan-3-yl]methanone

C15H26N2O2 — CID 712034

IUPACmorpholin-4-yl-[(1R,5S)-1,8,8-trimethyl-3-azabicyclo[3.2.1]octan-3-yl]methanone
SMILESCC1(C)[C@@H]2CC[C@@]1(C)CN(C(=O)N1CCOCC1)C2
InChIInChI=1S/C15H26N2O2/c1-14(2)12-4-5-15(14,3)11-17(10-12)13(18)16-6-8-19-9-7-16/h12H,4-11H2,1-3H3/t12-,15+/m1/s1
InChIKeyZNUBUOHVTAFVHV-DOMZBBRYSA-N
MW266.38 g/mol
LogP2.20
Rot. Bonds

About morpholin-4-yl-[(1R,5S)-1,8,8-trimethyl-3-azabicyclo[3.2.1]octan-3-yl]methanone

morpholin-4-yl-[(1R,5S)-1,8,8-trimethyl-3-azabicyclo[3.2.1]octan-3-yl]methanone (PubChem CID 712034) has the molecular formula C15H26N2O2 and a molecular weight of 266.38 g/mol. Its IUPAC name is morpholin-4-yl-[(1R,5S)-1,8,8-trimethyl-3-azabicyclo[3.2.1]octan-3-yl]methanone.

Molecular Properties

Compound Namemorpholin-4-yl-[(1R,5S)-1,8,8-trimethyl-3-azabicyclo[3.2.1]octan-3-yl]methanone
PubChem CID712034
Molecular FormulaC15H26N2O2
Molecular Weight266.38 g/mol
Exact Mass266.20
IUPAC Namemorpholin-4-yl-[(1R,5S)-1,8,8-trimethyl-3-azabicyclo[3.2.1]octan-3-yl]methanone
SMILESCC1(C)[C@@H]2CC[C@@]1(C)CN(C(=O)N1CCOCC1)C2
InChIInChI=1S/C15H26N2O2/c1-14(2)12-4-5-15(14,3)11-17(10-12)13(18)16-6-8-19-9-7-16/h12H,4-11H2,1-3H3/t12-,15+/m1/s1
InChIKeyZNUBUOHVTAFVHV-DOMZBBRYSA-N
XLogP2.20
TPSA32.78 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.38
LogP ≤ 52.20
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of morpholin-4-yl-[(1R,5S)-1,8,8-trimethyl-3-azabicyclo[3.2.1]octan-3-yl]methanone?
The IUPAC name of morpholin-4-yl-[(1R,5S)-1,8,8-trimethyl-3-azabicyclo[3.2.1]octan-3-yl]methanone (CID 712034) is morpholin-4-yl-[(1R,5S)-1,8,8-trimethyl-3-azabicyclo[3.2.1]octan-3-yl]methanone.
What is the SMILES notation for morpholin-4-yl-[(1R,5S)-1,8,8-trimethyl-3-azabicyclo[3.2.1]octan-3-yl]methanone?
The canonical SMILES for morpholin-4-yl-[(1R,5S)-1,8,8-trimethyl-3-azabicyclo[3.2.1]octan-3-yl]methanone is CC1(C)[C@@H]2CC[C@@]1(C)CN(C(=O)N1CCOCC1)C2.
What is the InChIKey of morpholin-4-yl-[(1R,5S)-1,8,8-trimethyl-3-azabicyclo[3.2.1]octan-3-yl]methanone?
The InChIKey is ZNUBUOHVTAFVHV-DOMZBBRYSA-N. The full InChI is InChI=1S/C15H26N2O2/c1-14(2)12-4-5-15(14,3)11-17(10-12)13(18)16-6-8-19-9-7-16/h12H,4-11H2,1-3H3/t12-,15+/m1/s1.
What are the key properties of morpholin-4-yl-[(1R,5S)-1,8,8-trimethyl-3-azabicyclo[3.2.1]octan-3-yl]methanone?
morpholin-4-yl-[(1R,5S)-1,8,8-trimethyl-3-azabicyclo[3.2.1]octan-3-yl]methanone has a molecular weight of 266.38 g/mol, XLogP of 2.20, 0 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for morpholin-4-yl-[(1R,5S)-1,8,8-trimethyl-3-azabicyclo[3.2.1]octan-3-yl]methanone is sourced from PubChem (CID 712034), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).