(3E)-5-morpholin-4-ylpenta-1,3-dien-3-amine

C9H16N2O — CID 134566823

IUPAC(3E)-5-morpholin-4-ylpenta-1,3-dien-3-amine
SMILESC=C/C(N)=C\CN1CCOCC1
InChIInChI=1S/C9H16N2O/c1-2-9(10)3-4-11-5-7-12-8-6-11/h2-3H,1,4-8,10H2/b9-3+
InChIKeyQLBXFBSVTIAYMX-YCRREMRBSA-N
MW168.24 g/mol
LogP0.35
Rot. Bonds3

About (3E)-5-morpholin-4-ylpenta-1,3-dien-3-amine

(3E)-5-morpholin-4-ylpenta-1,3-dien-3-amine (PubChem CID 134566823) has the molecular formula C9H16N2O and a molecular weight of 168.24 g/mol. Its IUPAC name is (3E)-5-morpholin-4-ylpenta-1,3-dien-3-amine.

Molecular Properties

Compound Name(3E)-5-morpholin-4-ylpenta-1,3-dien-3-amine
PubChem CID134566823
Molecular FormulaC9H16N2O
Molecular Weight168.24 g/mol
Exact Mass168.13
IUPAC Name(3E)-5-morpholin-4-ylpenta-1,3-dien-3-amine
SMILESC=C/C(N)=C\CN1CCOCC1
InChIInChI=1S/C9H16N2O/c1-2-9(10)3-4-11-5-7-12-8-6-11/h2-3H,1,4-8,10H2/b9-3+
InChIKeyQLBXFBSVTIAYMX-YCRREMRBSA-N
XLogP0.35
TPSA38.49 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500168.24
LogP ≤ 50.35
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 (3E)-5-morpholin-4-ylpenta-1,3-dien-3-amine?
The IUPAC name of (3E)-5-morpholin-4-ylpenta-1,3-dien-3-amine (CID 134566823) is (3E)-5-morpholin-4-ylpenta-1,3-dien-3-amine.
What is the SMILES notation for (3E)-5-morpholin-4-ylpenta-1,3-dien-3-amine?
The canonical SMILES for (3E)-5-morpholin-4-ylpenta-1,3-dien-3-amine is C=C/C(N)=C\CN1CCOCC1.
What is the InChIKey of (3E)-5-morpholin-4-ylpenta-1,3-dien-3-amine?
The InChIKey is QLBXFBSVTIAYMX-YCRREMRBSA-N. The full InChI is InChI=1S/C9H16N2O/c1-2-9(10)3-4-11-5-7-12-8-6-11/h2-3H,1,4-8,10H2/b9-3+.
What are the key properties of (3E)-5-morpholin-4-ylpenta-1,3-dien-3-amine?
(3E)-5-morpholin-4-ylpenta-1,3-dien-3-amine has a molecular weight of 168.24 g/mol, XLogP of 0.35, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (3E)-5-morpholin-4-ylpenta-1,3-dien-3-amine is sourced from PubChem (CID 134566823), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).