(3R,5E)-6-[(2S,6R)-2,6-dimethylmorpholin-4-yl]octa-1,5-dien-3-amine

C14H26N2O — CID 89073742

IUPAC(3R,5E)-6-[(2S,6R)-2,6-dimethylmorpholin-4-yl]octa-1,5-dien-3-amine
SMILESC=C[C@H](N)C/C=C(\CC)N1C[C@@H](C)O[C@@H](C)C1
InChIInChI=1S/C14H26N2O/c1-5-13(15)7-8-14(6-2)16-9-11(3)17-12(4)10-16/h5,8,11-13H,1,6-7,9-10,15H2,2-4H3/b14-8+/t11-,12+,13-/m0/s1
InChIKeyQRUREILEYIIHLF-PKVZETHASA-N
MW238.37 g/mol
LogP2.29
Rot. Bonds5

About (3R,5E)-6-[(2S,6R)-2,6-dimethylmorpholin-4-yl]octa-1,5-dien-3-amine

(3R,5E)-6-[(2S,6R)-2,6-dimethylmorpholin-4-yl]octa-1,5-dien-3-amine (PubChem CID 89073742) has the molecular formula C14H26N2O and a molecular weight of 238.37 g/mol. Its IUPAC name is (3R,5E)-6-[(2S,6R)-2,6-dimethylmorpholin-4-yl]octa-1,5-dien-3-amine.

Molecular Properties

Compound Name(3R,5E)-6-[(2S,6R)-2,6-dimethylmorpholin-4-yl]octa-1,5-dien-3-amine
PubChem CID89073742
Molecular FormulaC14H26N2O
Molecular Weight238.37 g/mol
Exact Mass238.20
IUPAC Name(3R,5E)-6-[(2S,6R)-2,6-dimethylmorpholin-4-yl]octa-1,5-dien-3-amine
SMILESC=C[C@H](N)C/C=C(\CC)N1C[C@@H](C)O[C@@H](C)C1
InChIInChI=1S/C14H26N2O/c1-5-13(15)7-8-14(6-2)16-9-11(3)17-12(4)10-16/h5,8,11-13H,1,6-7,9-10,15H2,2-4H3/b14-8+/t11-,12+,13-/m0/s1
InChIKeyQRUREILEYIIHLF-PKVZETHASA-N
XLogP2.29
TPSA38.49 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500238.37
LogP ≤ 52.29
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of (3R,5E)-6-[(2S,6R)-2,6-dimethylmorpholin-4-yl]octa-1,5-dien-3-amine?
The IUPAC name of (3R,5E)-6-[(2S,6R)-2,6-dimethylmorpholin-4-yl]octa-1,5-dien-3-amine (CID 89073742) is (3R,5E)-6-[(2S,6R)-2,6-dimethylmorpholin-4-yl]octa-1,5-dien-3-amine.
What is the SMILES notation for (3R,5E)-6-[(2S,6R)-2,6-dimethylmorpholin-4-yl]octa-1,5-dien-3-amine?
The canonical SMILES for (3R,5E)-6-[(2S,6R)-2,6-dimethylmorpholin-4-yl]octa-1,5-dien-3-amine is C=C[C@H](N)C/C=C(\CC)N1C[C@@H](C)O[C@@H](C)C1.
What is the InChIKey of (3R,5E)-6-[(2S,6R)-2,6-dimethylmorpholin-4-yl]octa-1,5-dien-3-amine?
The InChIKey is QRUREILEYIIHLF-PKVZETHASA-N. The full InChI is InChI=1S/C14H26N2O/c1-5-13(15)7-8-14(6-2)16-9-11(3)17-12(4)10-16/h5,8,11-13H,1,6-7,9-10,15H2,2-4H3/b14-8+/t11-,12+,13-/m0/s1.
What are the key properties of (3R,5E)-6-[(2S,6R)-2,6-dimethylmorpholin-4-yl]octa-1,5-dien-3-amine?
(3R,5E)-6-[(2S,6R)-2,6-dimethylmorpholin-4-yl]octa-1,5-dien-3-amine has a molecular weight of 238.37 g/mol, XLogP of 2.29, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (3R,5E)-6-[(2S,6R)-2,6-dimethylmorpholin-4-yl]octa-1,5-dien-3-amine is sourced from PubChem (CID 89073742), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).