(3R,6R)-6-[(2E)-penta-2,4-dienyl]oxan-3-amine

C10H17NO — CID 135127542

IUPAC(3R,6R)-6-[(2E)-penta-2,4-dienyl]oxan-3-amine
SMILESC=C/C=C/C[C@H]1CC[C@@H](N)CO1
InChIInChI=1S/C10H17NO/c1-2-3-4-5-10-7-6-9(11)8-12-10/h2-4,9-10H,1,5-8,11H2/b4-3+/t9-,10+/m1/s1
InChIKeyDHNZCFCAEBJYJN-OKWQPMOJSA-N
MW167.25 g/mol
LogP1.62
Rot. Bonds3

About (3R,6R)-6-[(2E)-penta-2,4-dienyl]oxan-3-amine

(3R,6R)-6-[(2E)-penta-2,4-dienyl]oxan-3-amine (PubChem CID 135127542) has the molecular formula C10H17NO and a molecular weight of 167.25 g/mol. Its IUPAC name is (3R,6R)-6-[(2E)-penta-2,4-dienyl]oxan-3-amine.

Molecular Properties

Compound Name(3R,6R)-6-[(2E)-penta-2,4-dienyl]oxan-3-amine
PubChem CID135127542
Molecular FormulaC10H17NO
Molecular Weight167.25 g/mol
Exact Mass167.13
IUPAC Name(3R,6R)-6-[(2E)-penta-2,4-dienyl]oxan-3-amine
SMILESC=C/C=C/C[C@H]1CC[C@@H](N)CO1
InChIInChI=1S/C10H17NO/c1-2-3-4-5-10-7-6-9(11)8-12-10/h2-4,9-10H,1,5-8,11H2/b4-3+/t9-,10+/m1/s1
InChIKeyDHNZCFCAEBJYJN-OKWQPMOJSA-N
XLogP1.62
TPSA35.25 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500167.25
LogP ≤ 51.62
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of (3R,6R)-6-[(2E)-penta-2,4-dienyl]oxan-3-amine?
The IUPAC name of (3R,6R)-6-[(2E)-penta-2,4-dienyl]oxan-3-amine (CID 135127542) is (3R,6R)-6-[(2E)-penta-2,4-dienyl]oxan-3-amine.
What is the SMILES notation for (3R,6R)-6-[(2E)-penta-2,4-dienyl]oxan-3-amine?
The canonical SMILES for (3R,6R)-6-[(2E)-penta-2,4-dienyl]oxan-3-amine is C=C/C=C/C[C@H]1CC[C@@H](N)CO1.
What is the InChIKey of (3R,6R)-6-[(2E)-penta-2,4-dienyl]oxan-3-amine?
The InChIKey is DHNZCFCAEBJYJN-OKWQPMOJSA-N. The full InChI is InChI=1S/C10H17NO/c1-2-3-4-5-10-7-6-9(11)8-12-10/h2-4,9-10H,1,5-8,11H2/b4-3+/t9-,10+/m1/s1.
What are the key properties of (3R,6R)-6-[(2E)-penta-2,4-dienyl]oxan-3-amine?
(3R,6R)-6-[(2E)-penta-2,4-dienyl]oxan-3-amine has a molecular weight of 167.25 g/mol, XLogP of 1.62, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (3R,6R)-6-[(2E)-penta-2,4-dienyl]oxan-3-amine is sourced from PubChem (CID 135127542), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).