(1E,3Z)-1-morpholin-4-ylpenta-1,3-diene-1,4-diamine

C9H17N3O — CID 143881893

IUPAC(1E,3Z)-1-morpholin-4-ylpenta-1,3-diene-1,4-diamine
SMILESC/C(N)=C/C=C(\N)N1CCOCC1
InChIInChI=1S/C9H17N3O/c1-8(10)2-3-9(11)12-4-6-13-7-5-12/h2-3H,4-7,10-11H2,1H3/b8-2-,9-3+
InChIKeyDMGXGQKLZGBRJT-GPBXNHIQSA-N
MW183.25 g/mol
LogP-0.02
Rot. Bonds2

About (1E,3Z)-1-morpholin-4-ylpenta-1,3-diene-1,4-diamine

(1E,3Z)-1-morpholin-4-ylpenta-1,3-diene-1,4-diamine (PubChem CID 143881893) has the molecular formula C9H17N3O and a molecular weight of 183.25 g/mol. Its IUPAC name is (1E,3Z)-1-morpholin-4-ylpenta-1,3-diene-1,4-diamine.

Molecular Properties

Compound Name(1E,3Z)-1-morpholin-4-ylpenta-1,3-diene-1,4-diamine
PubChem CID143881893
Molecular FormulaC9H17N3O
Molecular Weight183.25 g/mol
Exact Mass183.14
IUPAC Name(1E,3Z)-1-morpholin-4-ylpenta-1,3-diene-1,4-diamine
SMILESC/C(N)=C/C=C(\N)N1CCOCC1
InChIInChI=1S/C9H17N3O/c1-8(10)2-3-9(11)12-4-6-13-7-5-12/h2-3H,4-7,10-11H2,1H3/b8-2-,9-3+
InChIKeyDMGXGQKLZGBRJT-GPBXNHIQSA-N
XLogP-0.02
TPSA64.51 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500183.25
LogP ≤ 5-0.02
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)-1-morpholin-4-ylpenta-1,3-diene-1,4-diamine?
The IUPAC name of (1E,3Z)-1-morpholin-4-ylpenta-1,3-diene-1,4-diamine (CID 143881893) is (1E,3Z)-1-morpholin-4-ylpenta-1,3-diene-1,4-diamine.
What is the SMILES notation for (1E,3Z)-1-morpholin-4-ylpenta-1,3-diene-1,4-diamine?
The canonical SMILES for (1E,3Z)-1-morpholin-4-ylpenta-1,3-diene-1,4-diamine is C/C(N)=C/C=C(\N)N1CCOCC1.
What is the InChIKey of (1E,3Z)-1-morpholin-4-ylpenta-1,3-diene-1,4-diamine?
The InChIKey is DMGXGQKLZGBRJT-GPBXNHIQSA-N. The full InChI is InChI=1S/C9H17N3O/c1-8(10)2-3-9(11)12-4-6-13-7-5-12/h2-3H,4-7,10-11H2,1H3/b8-2-,9-3+.
What are the key properties of (1E,3Z)-1-morpholin-4-ylpenta-1,3-diene-1,4-diamine?
(1E,3Z)-1-morpholin-4-ylpenta-1,3-diene-1,4-diamine has a molecular weight of 183.25 g/mol, XLogP of -0.02, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (1E,3Z)-1-morpholin-4-ylpenta-1,3-diene-1,4-diamine is sourced from PubChem (CID 143881893), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).