(3Z,5E)-6,7-dimethylocta-1,3,5-trien-2-amine

C10H17N — CID 130346405

IUPAC(3Z,5E)-6,7-dimethylocta-1,3,5-trien-2-amine
SMILESC=C(N)/C=C\C=C(/C)C(C)C
InChIInChI=1S/C10H17N/c1-8(2)9(3)6-5-7-10(4)11/h5-8H,4,11H2,1-3H3/b7-5-,9-6+
InChIKeyYYKWJGILSWQPRF-XCZNYUDNSA-N
MW151.25 g/mol
LogP2.62
Rot. Bonds3

About (3Z,5E)-6,7-dimethylocta-1,3,5-trien-2-amine

(3Z,5E)-6,7-dimethylocta-1,3,5-trien-2-amine (PubChem CID 130346405) has the molecular formula C10H17N and a molecular weight of 151.25 g/mol. Its IUPAC name is (3Z,5E)-6,7-dimethylocta-1,3,5-trien-2-amine.

Molecular Properties

Compound Name(3Z,5E)-6,7-dimethylocta-1,3,5-trien-2-amine
PubChem CID130346405
Molecular FormulaC10H17N
Molecular Weight151.25 g/mol
Exact Mass151.14
IUPAC Name(3Z,5E)-6,7-dimethylocta-1,3,5-trien-2-amine
SMILESC=C(N)/C=C\C=C(/C)C(C)C
InChIInChI=1S/C10H17N/c1-8(2)9(3)6-5-7-10(4)11/h5-8H,4,11H2,1-3H3/b7-5-,9-6+
InChIKeyYYKWJGILSWQPRF-XCZNYUDNSA-N
XLogP2.62
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
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': 'polyene', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of (3Z,5E)-6,7-dimethylocta-1,3,5-trien-2-amine?
The IUPAC name of (3Z,5E)-6,7-dimethylocta-1,3,5-trien-2-amine (CID 130346405) is (3Z,5E)-6,7-dimethylocta-1,3,5-trien-2-amine.
What is the SMILES notation for (3Z,5E)-6,7-dimethylocta-1,3,5-trien-2-amine?
The canonical SMILES for (3Z,5E)-6,7-dimethylocta-1,3,5-trien-2-amine is C=C(N)/C=C\C=C(/C)C(C)C.
What is the InChIKey of (3Z,5E)-6,7-dimethylocta-1,3,5-trien-2-amine?
The InChIKey is YYKWJGILSWQPRF-XCZNYUDNSA-N. The full InChI is InChI=1S/C10H17N/c1-8(2)9(3)6-5-7-10(4)11/h5-8H,4,11H2,1-3H3/b7-5-,9-6+.
What are the key properties of (3Z,5E)-6,7-dimethylocta-1,3,5-trien-2-amine?
(3Z,5E)-6,7-dimethylocta-1,3,5-trien-2-amine has a molecular weight of 151.25 g/mol, XLogP of 2.62, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (3Z,5E)-6,7-dimethylocta-1,3,5-trien-2-amine is sourced from PubChem (CID 130346405), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).