(2E,4E,7Z,9Z)-5-ethylundeca-2,4,7,9-tetraen-3-amine

C13H21N — CID 89336328

IUPAC(2E,4E,7Z,9Z)-5-ethylundeca-2,4,7,9-tetraen-3-amine
SMILESC/C=C\C=C/C/C(=C/C(N)=C\C)CC
InChIInChI=1S/C13H21N/c1-4-7-8-9-10-12(5-2)11-13(14)6-3/h4,6-9,11H,5,10,14H2,1-3H3/b7-4-,9-8-,12-11+,13-6+
InChIKeyXVOFKDDMWNFPIA-QEZBQFARSA-N
MW191.32 g/mol
LogP3.71
Rot. Bonds5

About (2E,4E,7Z,9Z)-5-ethylundeca-2,4,7,9-tetraen-3-amine

(2E,4E,7Z,9Z)-5-ethylundeca-2,4,7,9-tetraen-3-amine (PubChem CID 89336328) has the molecular formula C13H21N and a molecular weight of 191.32 g/mol. Its IUPAC name is (2E,4E,7Z,9Z)-5-ethylundeca-2,4,7,9-tetraen-3-amine.

Molecular Properties

Compound Name(2E,4E,7Z,9Z)-5-ethylundeca-2,4,7,9-tetraen-3-amine
PubChem CID89336328
Molecular FormulaC13H21N
Molecular Weight191.32 g/mol
Exact Mass191.17
IUPAC Name(2E,4E,7Z,9Z)-5-ethylundeca-2,4,7,9-tetraen-3-amine
SMILESC/C=C\C=C/C/C(=C/C(N)=C\C)CC
InChIInChI=1S/C13H21N/c1-4-7-8-9-10-12(5-2)11-13(14)6-3/h4,6-9,11H,5,10,14H2,1-3H3/b7-4-,9-8-,12-11+,13-6+
InChIKeyXVOFKDDMWNFPIA-QEZBQFARSA-N
XLogP3.71
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500191.32
LogP ≤ 53.71
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of (2E,4E,7Z,9Z)-5-ethylundeca-2,4,7,9-tetraen-3-amine?
The IUPAC name of (2E,4E,7Z,9Z)-5-ethylundeca-2,4,7,9-tetraen-3-amine (CID 89336328) is (2E,4E,7Z,9Z)-5-ethylundeca-2,4,7,9-tetraen-3-amine.
What is the SMILES notation for (2E,4E,7Z,9Z)-5-ethylundeca-2,4,7,9-tetraen-3-amine?
The canonical SMILES for (2E,4E,7Z,9Z)-5-ethylundeca-2,4,7,9-tetraen-3-amine is C/C=C\C=C/C/C(=C/C(N)=C\C)CC.
What is the InChIKey of (2E,4E,7Z,9Z)-5-ethylundeca-2,4,7,9-tetraen-3-amine?
The InChIKey is XVOFKDDMWNFPIA-QEZBQFARSA-N. The full InChI is InChI=1S/C13H21N/c1-4-7-8-9-10-12(5-2)11-13(14)6-3/h4,6-9,11H,5,10,14H2,1-3H3/b7-4-,9-8-,12-11+,13-6+.
What are the key properties of (2E,4E,7Z,9Z)-5-ethylundeca-2,4,7,9-tetraen-3-amine?
(2E,4E,7Z,9Z)-5-ethylundeca-2,4,7,9-tetraen-3-amine has a molecular weight of 191.32 g/mol, XLogP of 3.71, 5 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (2E,4E,7Z,9Z)-5-ethylundeca-2,4,7,9-tetraen-3-amine is sourced from PubChem (CID 89336328), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).