(2E,4Z)-6-[(2R,6S)-2,3,6-trimethylmorpholin-4-yl]hexa-2,4-dien-3-amine

C13H24N2O — CID 89073745

IUPAC(2E,4Z)-6-[(2R,6S)-2,3,6-trimethylmorpholin-4-yl]hexa-2,4-dien-3-amine
SMILESC/C=C(N)\C=C/CN1C[C@H](C)O[C@H](C)C1C
InChIInChI=1S/C13H24N2O/c1-5-13(14)7-6-8-15-9-10(2)16-12(4)11(15)3/h5-7,10-12H,8-9,14H2,1-4H3/b7-6-,13-5+/t10-,11?,12+/m0/s1
InChIKeyJNUBIJYPMUHHLI-ZPEAUISZSA-N
MW224.35 g/mol
LogP1.90
Rot. Bonds3

About (2E,4Z)-6-[(2R,6S)-2,3,6-trimethylmorpholin-4-yl]hexa-2,4-dien-3-amine

(2E,4Z)-6-[(2R,6S)-2,3,6-trimethylmorpholin-4-yl]hexa-2,4-dien-3-amine (PubChem CID 89073745) has the molecular formula C13H24N2O and a molecular weight of 224.35 g/mol. Its IUPAC name is (2E,4Z)-6-[(2R,6S)-2,3,6-trimethylmorpholin-4-yl]hexa-2,4-dien-3-amine.

Molecular Properties

Compound Name(2E,4Z)-6-[(2R,6S)-2,3,6-trimethylmorpholin-4-yl]hexa-2,4-dien-3-amine
PubChem CID89073745
Molecular FormulaC13H24N2O
Molecular Weight224.35 g/mol
Exact Mass224.19
IUPAC Name(2E,4Z)-6-[(2R,6S)-2,3,6-trimethylmorpholin-4-yl]hexa-2,4-dien-3-amine
SMILESC/C=C(N)\C=C/CN1C[C@H](C)O[C@H](C)C1C
InChIInChI=1S/C13H24N2O/c1-5-13(14)7-6-8-15-9-10(2)16-12(4)11(15)3/h5-7,10-12H,8-9,14H2,1-4H3/b7-6-,13-5+/t10-,11?,12+/m0/s1
InChIKeyJNUBIJYPMUHHLI-ZPEAUISZSA-N
XLogP1.90
TPSA38.49 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500224.35
LogP ≤ 51.90
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of (2E,4Z)-6-[(2R,6S)-2,3,6-trimethylmorpholin-4-yl]hexa-2,4-dien-3-amine?
The IUPAC name of (2E,4Z)-6-[(2R,6S)-2,3,6-trimethylmorpholin-4-yl]hexa-2,4-dien-3-amine (CID 89073745) is (2E,4Z)-6-[(2R,6S)-2,3,6-trimethylmorpholin-4-yl]hexa-2,4-dien-3-amine.
What is the SMILES notation for (2E,4Z)-6-[(2R,6S)-2,3,6-trimethylmorpholin-4-yl]hexa-2,4-dien-3-amine?
The canonical SMILES for (2E,4Z)-6-[(2R,6S)-2,3,6-trimethylmorpholin-4-yl]hexa-2,4-dien-3-amine is C/C=C(N)\C=C/CN1C[C@H](C)O[C@H](C)C1C.
What is the InChIKey of (2E,4Z)-6-[(2R,6S)-2,3,6-trimethylmorpholin-4-yl]hexa-2,4-dien-3-amine?
The InChIKey is JNUBIJYPMUHHLI-ZPEAUISZSA-N. The full InChI is InChI=1S/C13H24N2O/c1-5-13(14)7-6-8-15-9-10(2)16-12(4)11(15)3/h5-7,10-12H,8-9,14H2,1-4H3/b7-6-,13-5+/t10-,11?,12+/m0/s1.
What are the key properties of (2E,4Z)-6-[(2R,6S)-2,3,6-trimethylmorpholin-4-yl]hexa-2,4-dien-3-amine?
(2E,4Z)-6-[(2R,6S)-2,3,6-trimethylmorpholin-4-yl]hexa-2,4-dien-3-amine has a molecular weight of 224.35 g/mol, XLogP of 1.90, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2E,4Z)-6-[(2R,6S)-2,3,6-trimethylmorpholin-4-yl]hexa-2,4-dien-3-amine is sourced from PubChem (CID 89073745), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).