(1E,3Z)-5-morpholin-4-ylhexa-1,3,5-triene-1,2-diamine

C10H17N3O — CID 88943444

IUPAC(1E,3Z)-5-morpholin-4-ylhexa-1,3,5-triene-1,2-diamine
SMILESC=C(/C=C\C(N)=C/N)N1CCOCC1
InChIInChI=1S/C10H17N3O/c1-9(2-3-10(12)8-11)13-4-6-14-7-5-13/h2-3,8H,1,4-7,11-12H2/b3-2-,10-8+
InChIKeyOMBPOFKYOARTAL-QQOOZTEWSA-N
MW195.27 g/mol
LogP0.15
Rot. Bonds3

About (1E,3Z)-5-morpholin-4-ylhexa-1,3,5-triene-1,2-diamine

(1E,3Z)-5-morpholin-4-ylhexa-1,3,5-triene-1,2-diamine (PubChem CID 88943444) has the molecular formula C10H17N3O and a molecular weight of 195.27 g/mol. Its IUPAC name is (1E,3Z)-5-morpholin-4-ylhexa-1,3,5-triene-1,2-diamine.

Molecular Properties

Compound Name(1E,3Z)-5-morpholin-4-ylhexa-1,3,5-triene-1,2-diamine
PubChem CID88943444
Molecular FormulaC10H17N3O
Molecular Weight195.27 g/mol
Exact Mass195.14
IUPAC Name(1E,3Z)-5-morpholin-4-ylhexa-1,3,5-triene-1,2-diamine
SMILESC=C(/C=C\C(N)=C/N)N1CCOCC1
InChIInChI=1S/C10H17N3O/c1-9(2-3-10(12)8-11)13-4-6-14-7-5-13/h2-3,8H,1,4-7,11-12H2/b3-2-,10-8+
InChIKeyOMBPOFKYOARTAL-QQOOZTEWSA-N
XLogP0.15
TPSA64.51 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500195.27
LogP ≤ 50.15
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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,3Z)-5-morpholin-4-ylhexa-1,3,5-triene-1,2-diamine?
The IUPAC name of (1E,3Z)-5-morpholin-4-ylhexa-1,3,5-triene-1,2-diamine (CID 88943444) is (1E,3Z)-5-morpholin-4-ylhexa-1,3,5-triene-1,2-diamine.
What is the SMILES notation for (1E,3Z)-5-morpholin-4-ylhexa-1,3,5-triene-1,2-diamine?
The canonical SMILES for (1E,3Z)-5-morpholin-4-ylhexa-1,3,5-triene-1,2-diamine is C=C(/C=C\C(N)=C/N)N1CCOCC1.
What is the InChIKey of (1E,3Z)-5-morpholin-4-ylhexa-1,3,5-triene-1,2-diamine?
The InChIKey is OMBPOFKYOARTAL-QQOOZTEWSA-N. The full InChI is InChI=1S/C10H17N3O/c1-9(2-3-10(12)8-11)13-4-6-14-7-5-13/h2-3,8H,1,4-7,11-12H2/b3-2-,10-8+.
What are the key properties of (1E,3Z)-5-morpholin-4-ylhexa-1,3,5-triene-1,2-diamine?
(1E,3Z)-5-morpholin-4-ylhexa-1,3,5-triene-1,2-diamine has a molecular weight of 195.27 g/mol, XLogP of 0.15, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (1E,3Z)-5-morpholin-4-ylhexa-1,3,5-triene-1,2-diamine is sourced from PubChem (CID 88943444), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).