4-[(3R)-5,5-dimethylhexan-3-yl]morpholine

C12H25NO — CID 166869607

IUPAC4-[(3R)-5,5-dimethylhexan-3-yl]morpholine
SMILESCC[C@H](CC(C)(C)C)N1CCOCC1
InChIInChI=1S/C12H25NO/c1-5-11(10-12(2,3)4)13-6-8-14-9-7-13/h11H,5-10H2,1-4H3/t11-/m1/s1
InChIKeyGSNACNXNGUETNV-LLVKDONJSA-N
MW199.34 g/mol
LogP2.53
Rot. Bonds3

About 4-[(3R)-5,5-dimethylhexan-3-yl]morpholine

4-[(3R)-5,5-dimethylhexan-3-yl]morpholine (PubChem CID 166869607) has the molecular formula C12H25NO and a molecular weight of 199.34 g/mol. Its IUPAC name is 4-[(3R)-5,5-dimethylhexan-3-yl]morpholine.

Molecular Properties

Compound Name4-[(3R)-5,5-dimethylhexan-3-yl]morpholine
PubChem CID166869607
Molecular FormulaC12H25NO
Molecular Weight199.34 g/mol
Exact Mass199.19
IUPAC Name4-[(3R)-5,5-dimethylhexan-3-yl]morpholine
SMILESCC[C@H](CC(C)(C)C)N1CCOCC1
InChIInChI=1S/C12H25NO/c1-5-11(10-12(2,3)4)13-6-8-14-9-7-13/h11H,5-10H2,1-4H3/t11-/m1/s1
InChIKeyGSNACNXNGUETNV-LLVKDONJSA-N
XLogP2.53
TPSA12.47 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500199.34
LogP ≤ 52.53
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 4-[(3R)-5,5-dimethylhexan-3-yl]morpholine?
The IUPAC name of 4-[(3R)-5,5-dimethylhexan-3-yl]morpholine (CID 166869607) is 4-[(3R)-5,5-dimethylhexan-3-yl]morpholine.
What is the SMILES notation for 4-[(3R)-5,5-dimethylhexan-3-yl]morpholine?
The canonical SMILES for 4-[(3R)-5,5-dimethylhexan-3-yl]morpholine is CC[C@H](CC(C)(C)C)N1CCOCC1.
What is the InChIKey of 4-[(3R)-5,5-dimethylhexan-3-yl]morpholine?
The InChIKey is GSNACNXNGUETNV-LLVKDONJSA-N. The full InChI is InChI=1S/C12H25NO/c1-5-11(10-12(2,3)4)13-6-8-14-9-7-13/h11H,5-10H2,1-4H3/t11-/m1/s1.
What are the key properties of 4-[(3R)-5,5-dimethylhexan-3-yl]morpholine?
4-[(3R)-5,5-dimethylhexan-3-yl]morpholine has a molecular weight of 199.34 g/mol, XLogP of 2.53, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(3R)-5,5-dimethylhexan-3-yl]morpholine is sourced from PubChem (CID 166869607), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).