(3E)-5-ethylocta-1,3,7-trien-4-amine

C10H17N — CID 134331827

IUPAC(3E)-5-ethylocta-1,3,7-trien-4-amine
SMILESC=C/C=C(/N)C(CC)CC=C
InChIInChI=1S/C10H17N/c1-4-7-9(6-3)10(11)8-5-2/h4-5,8-9H,1-2,6-7,11H2,3H3/b10-8+
InChIKeyVOKJCYAZYJCERE-CSKARUKUSA-N
MW151.25 g/mol
LogP2.62
Rot. Bonds5

About (3E)-5-ethylocta-1,3,7-trien-4-amine

(3E)-5-ethylocta-1,3,7-trien-4-amine (PubChem CID 134331827) has the molecular formula C10H17N and a molecular weight of 151.25 g/mol. Its IUPAC name is (3E)-5-ethylocta-1,3,7-trien-4-amine.

Molecular Properties

Compound Name(3E)-5-ethylocta-1,3,7-trien-4-amine
PubChem CID134331827
Molecular FormulaC10H17N
Molecular Weight151.25 g/mol
Exact Mass151.14
IUPAC Name(3E)-5-ethylocta-1,3,7-trien-4-amine
SMILESC=C/C=C(/N)C(CC)CC=C
InChIInChI=1S/C10H17N/c1-4-7-9(6-3)10(11)8-5-2/h4-5,8-9H,1-2,6-7,11H2,3H3/b10-8+
InChIKeyVOKJCYAZYJCERE-CSKARUKUSA-N
XLogP2.62
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500151.25
LogP ≤ 52.62
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'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 (3E)-5-ethylocta-1,3,7-trien-4-amine?
The IUPAC name of (3E)-5-ethylocta-1,3,7-trien-4-amine (CID 134331827) is (3E)-5-ethylocta-1,3,7-trien-4-amine.
What is the SMILES notation for (3E)-5-ethylocta-1,3,7-trien-4-amine?
The canonical SMILES for (3E)-5-ethylocta-1,3,7-trien-4-amine is C=C/C=C(/N)C(CC)CC=C.
What is the InChIKey of (3E)-5-ethylocta-1,3,7-trien-4-amine?
The InChIKey is VOKJCYAZYJCERE-CSKARUKUSA-N. The full InChI is InChI=1S/C10H17N/c1-4-7-9(6-3)10(11)8-5-2/h4-5,8-9H,1-2,6-7,11H2,3H3/b10-8+.
What are the key properties of (3E)-5-ethylocta-1,3,7-trien-4-amine?
(3E)-5-ethylocta-1,3,7-trien-4-amine has a molecular weight of 151.25 g/mol, XLogP of 2.62, 5 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (3E)-5-ethylocta-1,3,7-trien-4-amine is sourced from PubChem (CID 134331827), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).