(2E,4E,6E)-4-[(3R)-pyrrolidin-3-yl]oxydeca-2,4,6-trien-3-amine

C14H24N2O — CID 176561434

IUPAC(2E,4E,6E)-4-[(3R)-pyrrolidin-3-yl]oxydeca-2,4,6-trien-3-amine
SMILESC/C=C(N)\C(=C/C=C/CCC)O[C@@H]1CCNC1
InChIInChI=1S/C14H24N2O/c1-3-5-6-7-8-14(13(15)4-2)17-12-9-10-16-11-12/h4,6-8,12,16H,3,5,9-11,15H2,1-2H3/b7-6+,13-4+,14-8+/t12-/m1/s1
InChIKeyDAKWLKKHWLMNQE-AVKGTSKNSA-N
MW236.36 g/mol
LogP2.47
Rot. Bonds6

About (2E,4E,6E)-4-[(3R)-pyrrolidin-3-yl]oxydeca-2,4,6-trien-3-amine

(2E,4E,6E)-4-[(3R)-pyrrolidin-3-yl]oxydeca-2,4,6-trien-3-amine (PubChem CID 176561434) has the molecular formula C14H24N2O and a molecular weight of 236.36 g/mol. Its IUPAC name is (2E,4E,6E)-4-[(3R)-pyrrolidin-3-yl]oxydeca-2,4,6-trien-3-amine.

Molecular Properties

Compound Name(2E,4E,6E)-4-[(3R)-pyrrolidin-3-yl]oxydeca-2,4,6-trien-3-amine
PubChem CID176561434
Molecular FormulaC14H24N2O
Molecular Weight236.36 g/mol
Exact Mass236.19
IUPAC Name(2E,4E,6E)-4-[(3R)-pyrrolidin-3-yl]oxydeca-2,4,6-trien-3-amine
SMILESC/C=C(N)\C(=C/C=C/CCC)O[C@@H]1CCNC1
InChIInChI=1S/C14H24N2O/c1-3-5-6-7-8-14(13(15)4-2)17-12-9-10-16-11-12/h4,6-8,12,16H,3,5,9-11,15H2,1-2H3/b7-6+,13-4+,14-8+/t12-/m1/s1
InChIKeyDAKWLKKHWLMNQE-AVKGTSKNSA-N
XLogP2.47
TPSA47.28 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500236.36
LogP ≤ 52.47
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'acyclic_C=C-O', 'substructure': 'N/A'}, {'alert_name': 'polyene', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of (2E,4E,6E)-4-[(3R)-pyrrolidin-3-yl]oxydeca-2,4,6-trien-3-amine?
The IUPAC name of (2E,4E,6E)-4-[(3R)-pyrrolidin-3-yl]oxydeca-2,4,6-trien-3-amine (CID 176561434) is (2E,4E,6E)-4-[(3R)-pyrrolidin-3-yl]oxydeca-2,4,6-trien-3-amine.
What is the SMILES notation for (2E,4E,6E)-4-[(3R)-pyrrolidin-3-yl]oxydeca-2,4,6-trien-3-amine?
The canonical SMILES for (2E,4E,6E)-4-[(3R)-pyrrolidin-3-yl]oxydeca-2,4,6-trien-3-amine is C/C=C(N)\C(=C/C=C/CCC)O[C@@H]1CCNC1.
What is the InChIKey of (2E,4E,6E)-4-[(3R)-pyrrolidin-3-yl]oxydeca-2,4,6-trien-3-amine?
The InChIKey is DAKWLKKHWLMNQE-AVKGTSKNSA-N. The full InChI is InChI=1S/C14H24N2O/c1-3-5-6-7-8-14(13(15)4-2)17-12-9-10-16-11-12/h4,6-8,12,16H,3,5,9-11,15H2,1-2H3/b7-6+,13-4+,14-8+/t12-/m1/s1.
What are the key properties of (2E,4E,6E)-4-[(3R)-pyrrolidin-3-yl]oxydeca-2,4,6-trien-3-amine?
(2E,4E,6E)-4-[(3R)-pyrrolidin-3-yl]oxydeca-2,4,6-trien-3-amine has a molecular weight of 236.36 g/mol, XLogP of 2.47, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2E,4E,6E)-4-[(3R)-pyrrolidin-3-yl]oxydeca-2,4,6-trien-3-amine is sourced from PubChem (CID 176561434), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).