6-[1-[(3R,6S)-3,6-dimethyl-4-propan-2-ylmorpholin-2-yl]propan-2-yl]-3-oxa-6-azabicyclo[3.1.1]heptane

C17H32N2O2 — CID 166849975

IUPAC6-[1-[(3R,6S)-3,6-dimethyl-4-propan-2-ylmorpholin-2-yl]propan-2-yl]-3-oxa-6-azabicyclo[3.1.1]heptane
SMILESCC(CC1O[C@@H](C)CN(C(C)C)[C@@H]1C)N1C2COCC1C2
InChIInChI=1S/C17H32N2O2/c1-11(2)18-8-13(4)21-17(14(18)5)6-12(3)19-15-7-16(19)10-20-9-15/h11-17H,6-10H2,1-5H3/t12?,13-,14+,15?,16?,17?/m0/s1
InChIKeyFOKVKAUNEQBWDK-AQRIGCLHSA-N
MW296.46 g/mol
LogP2.12
Rot. Bonds4

About 6-[1-[(3R,6S)-3,6-dimethyl-4-propan-2-ylmorpholin-2-yl]propan-2-yl]-3-oxa-6-azabicyclo[3.1.1]heptane

6-[1-[(3R,6S)-3,6-dimethyl-4-propan-2-ylmorpholin-2-yl]propan-2-yl]-3-oxa-6-azabicyclo[3.1.1]heptane (PubChem CID 166849975) has the molecular formula C17H32N2O2 and a molecular weight of 296.46 g/mol. Its IUPAC name is 6-[1-[(3R,6S)-3,6-dimethyl-4-propan-2-ylmorpholin-2-yl]propan-2-yl]-3-oxa-6-azabicyclo[3.1.1]heptane.

Molecular Properties

Compound Name6-[1-[(3R,6S)-3,6-dimethyl-4-propan-2-ylmorpholin-2-yl]propan-2-yl]-3-oxa-6-azabicyclo[3.1.1]heptane
PubChem CID166849975
Molecular FormulaC17H32N2O2
Molecular Weight296.46 g/mol
Exact Mass296.25
IUPAC Name6-[1-[(3R,6S)-3,6-dimethyl-4-propan-2-ylmorpholin-2-yl]propan-2-yl]-3-oxa-6-azabicyclo[3.1.1]heptane
SMILESCC(CC1O[C@@H](C)CN(C(C)C)[C@@H]1C)N1C2COCC1C2
InChIInChI=1S/C17H32N2O2/c1-11(2)18-8-13(4)21-17(14(18)5)6-12(3)19-15-7-16(19)10-20-9-15/h11-17H,6-10H2,1-5H3/t12?,13-,14+,15?,16?,17?/m0/s1
InChIKeyFOKVKAUNEQBWDK-AQRIGCLHSA-N
XLogP2.12
TPSA24.94 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500296.46
LogP ≤ 52.12
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 6-[1-[(3R,6S)-3,6-dimethyl-4-propan-2-ylmorpholin-2-yl]propan-2-yl]-3-oxa-6-azabicyclo[3.1.1]heptane?
The IUPAC name of 6-[1-[(3R,6S)-3,6-dimethyl-4-propan-2-ylmorpholin-2-yl]propan-2-yl]-3-oxa-6-azabicyclo[3.1.1]heptane (CID 166849975) is 6-[1-[(3R,6S)-3,6-dimethyl-4-propan-2-ylmorpholin-2-yl]propan-2-yl]-3-oxa-6-azabicyclo[3.1.1]heptane.
What is the SMILES notation for 6-[1-[(3R,6S)-3,6-dimethyl-4-propan-2-ylmorpholin-2-yl]propan-2-yl]-3-oxa-6-azabicyclo[3.1.1]heptane?
The canonical SMILES for 6-[1-[(3R,6S)-3,6-dimethyl-4-propan-2-ylmorpholin-2-yl]propan-2-yl]-3-oxa-6-azabicyclo[3.1.1]heptane is CC(CC1O[C@@H](C)CN(C(C)C)[C@@H]1C)N1C2COCC1C2.
What is the InChIKey of 6-[1-[(3R,6S)-3,6-dimethyl-4-propan-2-ylmorpholin-2-yl]propan-2-yl]-3-oxa-6-azabicyclo[3.1.1]heptane?
The InChIKey is FOKVKAUNEQBWDK-AQRIGCLHSA-N. The full InChI is InChI=1S/C17H32N2O2/c1-11(2)18-8-13(4)21-17(14(18)5)6-12(3)19-15-7-16(19)10-20-9-15/h11-17H,6-10H2,1-5H3/t12?,13-,14+,15?,16?,17?/m0/s1.
What are the key properties of 6-[1-[(3R,6S)-3,6-dimethyl-4-propan-2-ylmorpholin-2-yl]propan-2-yl]-3-oxa-6-azabicyclo[3.1.1]heptane?
6-[1-[(3R,6S)-3,6-dimethyl-4-propan-2-ylmorpholin-2-yl]propan-2-yl]-3-oxa-6-azabicyclo[3.1.1]heptane has a molecular weight of 296.46 g/mol, XLogP of 2.12, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[1-[(3R,6S)-3,6-dimethyl-4-propan-2-ylmorpholin-2-yl]propan-2-yl]-3-oxa-6-azabicyclo[3.1.1]heptane is sourced from PubChem (CID 166849975), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).