4-[(3S,4S)-2,5-dimethyl-4-morpholin-4-ylhexan-3-yl]morpholine

C16H32N2O2 — CID 59567141

IUPAC4-[(3S,4S)-2,5-dimethyl-4-morpholin-4-ylhexan-3-yl]morpholine
SMILESCC(C)[C@@H]([C@H](C(C)C)N1CCOCC1)N1CCOCC1
InChIInChI=1S/C16H32N2O2/c1-13(2)15(17-5-9-19-10-6-17)16(14(3)4)18-7-11-20-12-8-18/h13-16H,5-12H2,1-4H3/t15-,16-/m0/s1
InChIKeyNJCXOSYPLUUYFG-HOTGVXAUSA-N
MW284.44 g/mol
LogP1.70
Rot. Bonds5

About 4-[(3S,4S)-2,5-dimethyl-4-morpholin-4-ylhexan-3-yl]morpholine

4-[(3S,4S)-2,5-dimethyl-4-morpholin-4-ylhexan-3-yl]morpholine (PubChem CID 59567141) has the molecular formula C16H32N2O2 and a molecular weight of 284.44 g/mol. Its IUPAC name is 4-[(3S,4S)-2,5-dimethyl-4-morpholin-4-ylhexan-3-yl]morpholine.

Molecular Properties

Compound Name4-[(3S,4S)-2,5-dimethyl-4-morpholin-4-ylhexan-3-yl]morpholine
PubChem CID59567141
Molecular FormulaC16H32N2O2
Molecular Weight284.44 g/mol
Exact Mass284.25
IUPAC Name4-[(3S,4S)-2,5-dimethyl-4-morpholin-4-ylhexan-3-yl]morpholine
SMILESCC(C)[C@@H]([C@H](C(C)C)N1CCOCC1)N1CCOCC1
InChIInChI=1S/C16H32N2O2/c1-13(2)15(17-5-9-19-10-6-17)16(14(3)4)18-7-11-20-12-8-18/h13-16H,5-12H2,1-4H3/t15-,16-/m0/s1
InChIKeyNJCXOSYPLUUYFG-HOTGVXAUSA-N
XLogP1.70
TPSA24.94 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.44
LogP ≤ 51.70
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 4-[(3S,4S)-2,5-dimethyl-4-morpholin-4-ylhexan-3-yl]morpholine?
The IUPAC name of 4-[(3S,4S)-2,5-dimethyl-4-morpholin-4-ylhexan-3-yl]morpholine (CID 59567141) is 4-[(3S,4S)-2,5-dimethyl-4-morpholin-4-ylhexan-3-yl]morpholine.
What is the SMILES notation for 4-[(3S,4S)-2,5-dimethyl-4-morpholin-4-ylhexan-3-yl]morpholine?
The canonical SMILES for 4-[(3S,4S)-2,5-dimethyl-4-morpholin-4-ylhexan-3-yl]morpholine is CC(C)[C@@H]([C@H](C(C)C)N1CCOCC1)N1CCOCC1.
What is the InChIKey of 4-[(3S,4S)-2,5-dimethyl-4-morpholin-4-ylhexan-3-yl]morpholine?
The InChIKey is NJCXOSYPLUUYFG-HOTGVXAUSA-N. The full InChI is InChI=1S/C16H32N2O2/c1-13(2)15(17-5-9-19-10-6-17)16(14(3)4)18-7-11-20-12-8-18/h13-16H,5-12H2,1-4H3/t15-,16-/m0/s1.
What are the key properties of 4-[(3S,4S)-2,5-dimethyl-4-morpholin-4-ylhexan-3-yl]morpholine?
4-[(3S,4S)-2,5-dimethyl-4-morpholin-4-ylhexan-3-yl]morpholine has a molecular weight of 284.44 g/mol, XLogP of 1.70, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(3S,4S)-2,5-dimethyl-4-morpholin-4-ylhexan-3-yl]morpholine is sourced from PubChem (CID 59567141), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).