(2Z,4E,6E)-7-morpholin-4-ylocta-2,4,6-trien-4-amine

C12H20N2O — CID 88899217

IUPAC(2Z,4E,6E)-7-morpholin-4-ylocta-2,4,6-trien-4-amine
SMILESC/C=C\C(N)=C/C=C(\C)N1CCOCC1
InChIInChI=1S/C12H20N2O/c1-3-4-12(13)6-5-11(2)14-7-9-15-10-8-14/h3-6H,7-10,13H2,1-2H3/b4-3-,11-5+,12-6+
InChIKeyCFENXFYCODLFGM-KZHSBIRPSA-N
MW208.31 g/mol
LogP1.64
Rot. Bonds3

About (2Z,4E,6E)-7-morpholin-4-ylocta-2,4,6-trien-4-amine

(2Z,4E,6E)-7-morpholin-4-ylocta-2,4,6-trien-4-amine (PubChem CID 88899217) has the molecular formula C12H20N2O and a molecular weight of 208.31 g/mol. Its IUPAC name is (2Z,4E,6E)-7-morpholin-4-ylocta-2,4,6-trien-4-amine.

Molecular Properties

Compound Name(2Z,4E,6E)-7-morpholin-4-ylocta-2,4,6-trien-4-amine
PubChem CID88899217
Molecular FormulaC12H20N2O
Molecular Weight208.31 g/mol
Exact Mass208.16
IUPAC Name(2Z,4E,6E)-7-morpholin-4-ylocta-2,4,6-trien-4-amine
SMILESC/C=C\C(N)=C/C=C(\C)N1CCOCC1
InChIInChI=1S/C12H20N2O/c1-3-4-12(13)6-5-11(2)14-7-9-15-10-8-14/h3-6H,7-10,13H2,1-2H3/b4-3-,11-5+,12-6+
InChIKeyCFENXFYCODLFGM-KZHSBIRPSA-N
XLogP1.64
TPSA38.49 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500208.31
LogP ≤ 51.64
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 (2Z,4E,6E)-7-morpholin-4-ylocta-2,4,6-trien-4-amine?
The IUPAC name of (2Z,4E,6E)-7-morpholin-4-ylocta-2,4,6-trien-4-amine (CID 88899217) is (2Z,4E,6E)-7-morpholin-4-ylocta-2,4,6-trien-4-amine.
What is the SMILES notation for (2Z,4E,6E)-7-morpholin-4-ylocta-2,4,6-trien-4-amine?
The canonical SMILES for (2Z,4E,6E)-7-morpholin-4-ylocta-2,4,6-trien-4-amine is C/C=C\C(N)=C/C=C(\C)N1CCOCC1.
What is the InChIKey of (2Z,4E,6E)-7-morpholin-4-ylocta-2,4,6-trien-4-amine?
The InChIKey is CFENXFYCODLFGM-KZHSBIRPSA-N. The full InChI is InChI=1S/C12H20N2O/c1-3-4-12(13)6-5-11(2)14-7-9-15-10-8-14/h3-6H,7-10,13H2,1-2H3/b4-3-,11-5+,12-6+.
What are the key properties of (2Z,4E,6E)-7-morpholin-4-ylocta-2,4,6-trien-4-amine?
(2Z,4E,6E)-7-morpholin-4-ylocta-2,4,6-trien-4-amine has a molecular weight of 208.31 g/mol, XLogP of 1.64, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2Z,4E,6E)-7-morpholin-4-ylocta-2,4,6-trien-4-amine is sourced from PubChem (CID 88899217), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).