(1E,3E,5Z)-1-morpholin-4-ylhepta-1,3,5-trien-4-amine

C11H18N2O — CID 138711912

IUPAC(1E,3E,5Z)-1-morpholin-4-ylhepta-1,3,5-trien-4-amine
SMILESC/C=C\C(N)=C/C=C/N1CCOCC1
InChIInChI=1S/C11H18N2O/c1-2-4-11(12)5-3-6-13-7-9-14-10-8-13/h2-6H,7-10,12H2,1H3/b4-2-,6-3+,11-5+
InChIKeyMMLMRZROYKFHJU-UYPZKSHPSA-N
MW194.28 g/mol
LogP1.25
Rot. Bonds3

About (1E,3E,5Z)-1-morpholin-4-ylhepta-1,3,5-trien-4-amine

(1E,3E,5Z)-1-morpholin-4-ylhepta-1,3,5-trien-4-amine (PubChem CID 138711912) has the molecular formula C11H18N2O and a molecular weight of 194.28 g/mol. Its IUPAC name is (1E,3E,5Z)-1-morpholin-4-ylhepta-1,3,5-trien-4-amine.

Molecular Properties

Compound Name(1E,3E,5Z)-1-morpholin-4-ylhepta-1,3,5-trien-4-amine
PubChem CID138711912
Molecular FormulaC11H18N2O
Molecular Weight194.28 g/mol
Exact Mass194.14
IUPAC Name(1E,3E,5Z)-1-morpholin-4-ylhepta-1,3,5-trien-4-amine
SMILESC/C=C\C(N)=C/C=C/N1CCOCC1
InChIInChI=1S/C11H18N2O/c1-2-4-11(12)5-3-6-13-7-9-14-10-8-13/h2-6H,7-10,12H2,1H3/b4-2-,6-3+,11-5+
InChIKeyMMLMRZROYKFHJU-UYPZKSHPSA-N
XLogP1.25
TPSA38.49 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500194.28
LogP ≤ 51.25
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 (1E,3E,5Z)-1-morpholin-4-ylhepta-1,3,5-trien-4-amine?
The IUPAC name of (1E,3E,5Z)-1-morpholin-4-ylhepta-1,3,5-trien-4-amine (CID 138711912) is (1E,3E,5Z)-1-morpholin-4-ylhepta-1,3,5-trien-4-amine.
What is the SMILES notation for (1E,3E,5Z)-1-morpholin-4-ylhepta-1,3,5-trien-4-amine?
The canonical SMILES for (1E,3E,5Z)-1-morpholin-4-ylhepta-1,3,5-trien-4-amine is C/C=C\C(N)=C/C=C/N1CCOCC1.
What is the InChIKey of (1E,3E,5Z)-1-morpholin-4-ylhepta-1,3,5-trien-4-amine?
The InChIKey is MMLMRZROYKFHJU-UYPZKSHPSA-N. The full InChI is InChI=1S/C11H18N2O/c1-2-4-11(12)5-3-6-13-7-9-14-10-8-13/h2-6H,7-10,12H2,1H3/b4-2-,6-3+,11-5+.
What are the key properties of (1E,3E,5Z)-1-morpholin-4-ylhepta-1,3,5-trien-4-amine?
(1E,3E,5Z)-1-morpholin-4-ylhepta-1,3,5-trien-4-amine has a molecular weight of 194.28 g/mol, XLogP of 1.25, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (1E,3E,5Z)-1-morpholin-4-ylhepta-1,3,5-trien-4-amine is sourced from PubChem (CID 138711912), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).