(1E,3E)-1,5-dimethoxy-4-N-propylhexa-1,3,5-triene-1,4-diamine

C11H20N2O2 — CID 89205482

IUPAC(1E,3E)-1,5-dimethoxy-4-N-propylhexa-1,3,5-triene-1,4-diamine
SMILESC=C(OC)/C(=C\C=C(/N)OC)NCCC
InChIInChI=1S/C11H20N2O2/c1-5-8-13-10(9(2)14-3)6-7-11(12)15-4/h6-7,13H,2,5,8,12H2,1,3-4H3/b10-6+,11-7+
InChIKeyRZFCVUMWEZYTMA-JMQWPVDRSA-N
MW212.29 g/mol
LogP1.48
Rot. Bonds7

About (1E,3E)-1,5-dimethoxy-4-N-propylhexa-1,3,5-triene-1,4-diamine

(1E,3E)-1,5-dimethoxy-4-N-propylhexa-1,3,5-triene-1,4-diamine (PubChem CID 89205482) has the molecular formula C11H20N2O2 and a molecular weight of 212.29 g/mol. Its IUPAC name is (1E,3E)-1,5-dimethoxy-4-N-propylhexa-1,3,5-triene-1,4-diamine.

Molecular Properties

Compound Name(1E,3E)-1,5-dimethoxy-4-N-propylhexa-1,3,5-triene-1,4-diamine
PubChem CID89205482
Molecular FormulaC11H20N2O2
Molecular Weight212.29 g/mol
Exact Mass212.15
IUPAC Name(1E,3E)-1,5-dimethoxy-4-N-propylhexa-1,3,5-triene-1,4-diamine
SMILESC=C(OC)/C(=C\C=C(/N)OC)NCCC
InChIInChI=1S/C11H20N2O2/c1-5-8-13-10(9(2)14-3)6-7-11(12)15-4/h6-7,13H,2,5,8,12H2,1,3-4H3/b10-6+,11-7+
InChIKeyRZFCVUMWEZYTMA-JMQWPVDRSA-N
XLogP1.48
TPSA56.51 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500212.29
LogP ≤ 51.48
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'acyclic_C=C-O', 'substructure': 'N/A'}, {'alert_name': 'polyene', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of (1E,3E)-1,5-dimethoxy-4-N-propylhexa-1,3,5-triene-1,4-diamine?
The IUPAC name of (1E,3E)-1,5-dimethoxy-4-N-propylhexa-1,3,5-triene-1,4-diamine (CID 89205482) is (1E,3E)-1,5-dimethoxy-4-N-propylhexa-1,3,5-triene-1,4-diamine.
What is the SMILES notation for (1E,3E)-1,5-dimethoxy-4-N-propylhexa-1,3,5-triene-1,4-diamine?
The canonical SMILES for (1E,3E)-1,5-dimethoxy-4-N-propylhexa-1,3,5-triene-1,4-diamine is C=C(OC)/C(=C\C=C(/N)OC)NCCC.
What is the InChIKey of (1E,3E)-1,5-dimethoxy-4-N-propylhexa-1,3,5-triene-1,4-diamine?
The InChIKey is RZFCVUMWEZYTMA-JMQWPVDRSA-N. The full InChI is InChI=1S/C11H20N2O2/c1-5-8-13-10(9(2)14-3)6-7-11(12)15-4/h6-7,13H,2,5,8,12H2,1,3-4H3/b10-6+,11-7+.
What are the key properties of (1E,3E)-1,5-dimethoxy-4-N-propylhexa-1,3,5-triene-1,4-diamine?
(1E,3E)-1,5-dimethoxy-4-N-propylhexa-1,3,5-triene-1,4-diamine has a molecular weight of 212.29 g/mol, XLogP of 1.48, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (1E,3E)-1,5-dimethoxy-4-N-propylhexa-1,3,5-triene-1,4-diamine is sourced from PubChem (CID 89205482), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).