(2S,6R)-4-(3-cyclohexa-2,4-dien-1-yl-2-methylpropyl)-2,6-dimethylmorpholine

C16H27NO — CID 71213824

IUPAC(2S,6R)-4-(3-cyclohexa-2,4-dien-1-yl-2-methylpropyl)-2,6-dimethylmorpholine
SMILESCC(CC1C=CC=CC1)CN1C[C@@H](C)O[C@@H](C)C1
InChIInChI=1S/C16H27NO/c1-13(9-16-7-5-4-6-8-16)10-17-11-14(2)18-15(3)12-17/h4-7,13-16H,8-12H2,1-3H3/t13?,14-,15+,16?
InChIKeyKNCLGKNHUJEWMG-IRHLINNNSA-N
MW249.40 g/mol
LogP3.25
Rot. Bonds4

About (2S,6R)-4-(3-cyclohexa-2,4-dien-1-yl-2-methylpropyl)-2,6-dimethylmorpholine

(2S,6R)-4-(3-cyclohexa-2,4-dien-1-yl-2-methylpropyl)-2,6-dimethylmorpholine (PubChem CID 71213824) has the molecular formula C16H27NO and a molecular weight of 249.40 g/mol. Its IUPAC name is (2S,6R)-4-(3-cyclohexa-2,4-dien-1-yl-2-methylpropyl)-2,6-dimethylmorpholine.

Molecular Properties

Compound Name(2S,6R)-4-(3-cyclohexa-2,4-dien-1-yl-2-methylpropyl)-2,6-dimethylmorpholine
PubChem CID71213824
Molecular FormulaC16H27NO
Molecular Weight249.40 g/mol
Exact Mass249.21
IUPAC Name(2S,6R)-4-(3-cyclohexa-2,4-dien-1-yl-2-methylpropyl)-2,6-dimethylmorpholine
SMILESCC(CC1C=CC=CC1)CN1C[C@@H](C)O[C@@H](C)C1
InChIInChI=1S/C16H27NO/c1-13(9-16-7-5-4-6-8-16)10-17-11-14(2)18-15(3)12-17/h4-7,13-16H,8-12H2,1-3H3/t13?,14-,15+,16?
InChIKeyKNCLGKNHUJEWMG-IRHLINNNSA-N
XLogP3.25
TPSA12.47 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500249.40
LogP ≤ 53.25
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of (2S,6R)-4-(3-cyclohexa-2,4-dien-1-yl-2-methylpropyl)-2,6-dimethylmorpholine?
The IUPAC name of (2S,6R)-4-(3-cyclohexa-2,4-dien-1-yl-2-methylpropyl)-2,6-dimethylmorpholine (CID 71213824) is (2S,6R)-4-(3-cyclohexa-2,4-dien-1-yl-2-methylpropyl)-2,6-dimethylmorpholine.
What is the SMILES notation for (2S,6R)-4-(3-cyclohexa-2,4-dien-1-yl-2-methylpropyl)-2,6-dimethylmorpholine?
The canonical SMILES for (2S,6R)-4-(3-cyclohexa-2,4-dien-1-yl-2-methylpropyl)-2,6-dimethylmorpholine is CC(CC1C=CC=CC1)CN1C[C@@H](C)O[C@@H](C)C1.
What is the InChIKey of (2S,6R)-4-(3-cyclohexa-2,4-dien-1-yl-2-methylpropyl)-2,6-dimethylmorpholine?
The InChIKey is KNCLGKNHUJEWMG-IRHLINNNSA-N. The full InChI is InChI=1S/C16H27NO/c1-13(9-16-7-5-4-6-8-16)10-17-11-14(2)18-15(3)12-17/h4-7,13-16H,8-12H2,1-3H3/t13?,14-,15+,16?.
What are the key properties of (2S,6R)-4-(3-cyclohexa-2,4-dien-1-yl-2-methylpropyl)-2,6-dimethylmorpholine?
(2S,6R)-4-(3-cyclohexa-2,4-dien-1-yl-2-methylpropyl)-2,6-dimethylmorpholine has a molecular weight of 249.40 g/mol, XLogP of 3.25, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2S,6R)-4-(3-cyclohexa-2,4-dien-1-yl-2-methylpropyl)-2,6-dimethylmorpholine is sourced from PubChem (CID 71213824), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).