(4E,6E)-undeca-1,4,6-trien-4-amine

C11H19N — CID 89038993

IUPAC(4E,6E)-undeca-1,4,6-trien-4-amine
SMILESC=CC/C(N)=C\C=C\CCCC
InChIInChI=1S/C11H19N/c1-3-5-6-7-8-10-11(12)9-4-2/h4,7-8,10H,2-3,5-6,9,12H2,1H3/b8-7+,11-10+
InChIKeyNENPCNWBSUOAJB-ZDVGBALWSA-N
MW165.28 g/mol
LogP3.15
Rot. Bonds6

About (4E,6E)-undeca-1,4,6-trien-4-amine

(4E,6E)-undeca-1,4,6-trien-4-amine (PubChem CID 89038993) has the molecular formula C11H19N and a molecular weight of 165.28 g/mol. Its IUPAC name is (4E,6E)-undeca-1,4,6-trien-4-amine.

Molecular Properties

Compound Name(4E,6E)-undeca-1,4,6-trien-4-amine
PubChem CID89038993
Molecular FormulaC11H19N
Molecular Weight165.28 g/mol
Exact Mass165.15
IUPAC Name(4E,6E)-undeca-1,4,6-trien-4-amine
SMILESC=CC/C(N)=C\C=C\CCCC
InChIInChI=1S/C11H19N/c1-3-5-6-7-8-10-11(12)9-4-2/h4,7-8,10H,2-3,5-6,9,12H2,1H3/b8-7+,11-10+
InChIKeyNENPCNWBSUOAJB-ZDVGBALWSA-N
XLogP3.15
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds6
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500165.28
LogP ≤ 53.15
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'isolated_alkene', 'substructure': 'N/A'}, {'alert_name': 'polyene', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of (4E,6E)-undeca-1,4,6-trien-4-amine?
The IUPAC name of (4E,6E)-undeca-1,4,6-trien-4-amine (CID 89038993) is (4E,6E)-undeca-1,4,6-trien-4-amine.
What is the SMILES notation for (4E,6E)-undeca-1,4,6-trien-4-amine?
The canonical SMILES for (4E,6E)-undeca-1,4,6-trien-4-amine is C=CC/C(N)=C\C=C\CCCC.
What is the InChIKey of (4E,6E)-undeca-1,4,6-trien-4-amine?
The InChIKey is NENPCNWBSUOAJB-ZDVGBALWSA-N. The full InChI is InChI=1S/C11H19N/c1-3-5-6-7-8-10-11(12)9-4-2/h4,7-8,10H,2-3,5-6,9,12H2,1H3/b8-7+,11-10+.
What are the key properties of (4E,6E)-undeca-1,4,6-trien-4-amine?
(4E,6E)-undeca-1,4,6-trien-4-amine has a molecular weight of 165.28 g/mol, XLogP of 3.15, 6 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (4E,6E)-undeca-1,4,6-trien-4-amine is sourced from PubChem (CID 89038993), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).