(2R)-1-[[(2E,4E)-octa-2,4-dienyl]amino]heptan-2-ol

C15H29NO — CID 11075535

IUPAC(2R)-1-[[(2E,4E)-octa-2,4-dienyl]amino]heptan-2-ol
SMILESCCC/C=C/C=C/CNC[C@H](O)CCCCC
InChIInChI=1S/C15H29NO/c1-3-5-7-8-9-11-13-16-14-15(17)12-10-6-4-2/h7-9,11,15-17H,3-6,10,12-14H2,1-2H3/b8-7+,11-9+/t15-/m1/s1
InChIKeyIPGLKLMWYXMYAB-HNYVXQBRSA-N
MW239.40 g/mol
LogP3.43
Rot. Bonds11

About (2R)-1-[[(2E,4E)-octa-2,4-dienyl]amino]heptan-2-ol

(2R)-1-[[(2E,4E)-octa-2,4-dienyl]amino]heptan-2-ol (PubChem CID 11075535) has the molecular formula C15H29NO and a molecular weight of 239.40 g/mol. Its IUPAC name is (2R)-1-[[(2E,4E)-octa-2,4-dienyl]amino]heptan-2-ol.

Molecular Properties

Compound Name(2R)-1-[[(2E,4E)-octa-2,4-dienyl]amino]heptan-2-ol
PubChem CID11075535
Molecular FormulaC15H29NO
Molecular Weight239.40 g/mol
Exact Mass239.22
IUPAC Name(2R)-1-[[(2E,4E)-octa-2,4-dienyl]amino]heptan-2-ol
SMILESCCC/C=C/C=C/CNC[C@H](O)CCCCC
InChIInChI=1S/C15H29NO/c1-3-5-7-8-9-11-13-16-14-15(17)12-10-6-4-2/h7-9,11,15-17H,3-6,10,12-14H2,1-2H3/b8-7+,11-9+/t15-/m1/s1
InChIKeyIPGLKLMWYXMYAB-HNYVXQBRSA-N
XLogP3.43
TPSA32.26 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds11
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500239.40
LogP ≤ 53.43
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of (2R)-1-[[(2E,4E)-octa-2,4-dienyl]amino]heptan-2-ol?
The IUPAC name of (2R)-1-[[(2E,4E)-octa-2,4-dienyl]amino]heptan-2-ol (CID 11075535) is (2R)-1-[[(2E,4E)-octa-2,4-dienyl]amino]heptan-2-ol.
What is the SMILES notation for (2R)-1-[[(2E,4E)-octa-2,4-dienyl]amino]heptan-2-ol?
The canonical SMILES for (2R)-1-[[(2E,4E)-octa-2,4-dienyl]amino]heptan-2-ol is CCC/C=C/C=C/CNC[C@H](O)CCCCC.
What is the InChIKey of (2R)-1-[[(2E,4E)-octa-2,4-dienyl]amino]heptan-2-ol?
The InChIKey is IPGLKLMWYXMYAB-HNYVXQBRSA-N. The full InChI is InChI=1S/C15H29NO/c1-3-5-7-8-9-11-13-16-14-15(17)12-10-6-4-2/h7-9,11,15-17H,3-6,10,12-14H2,1-2H3/b8-7+,11-9+/t15-/m1/s1.
What are the key properties of (2R)-1-[[(2E,4E)-octa-2,4-dienyl]amino]heptan-2-ol?
(2R)-1-[[(2E,4E)-octa-2,4-dienyl]amino]heptan-2-ol has a molecular weight of 239.40 g/mol, XLogP of 3.43, 11 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-1-[[(2E,4E)-octa-2,4-dienyl]amino]heptan-2-ol is sourced from PubChem (CID 11075535), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).