2-[[(2E)-3,7-dimethylocta-2,6-dienyl]amino]propan-1-ol

C13H25NO — CID 13492930

IUPAC2-[[(2E)-3,7-dimethylocta-2,6-dienyl]amino]propan-1-ol
SMILESCC(C)=CCC/C(C)=C/CNC(C)CO
InChIInChI=1S/C13H25NO/c1-11(2)6-5-7-12(3)8-9-14-13(4)10-15/h6,8,13-15H,5,7,9-10H2,1-4H3/b12-8+
InChIKeyPNZVTNFSSDGUNM-XYOKQWHBSA-N
MW211.35 g/mol
LogP2.65
Rot. Bonds7

About 2-[[(2E)-3,7-dimethylocta-2,6-dienyl]amino]propan-1-ol

2-[[(2E)-3,7-dimethylocta-2,6-dienyl]amino]propan-1-ol (PubChem CID 13492930) has the molecular formula C13H25NO and a molecular weight of 211.35 g/mol. Its IUPAC name is 2-[[(2E)-3,7-dimethylocta-2,6-dienyl]amino]propan-1-ol.

Molecular Properties

Compound Name2-[[(2E)-3,7-dimethylocta-2,6-dienyl]amino]propan-1-ol
PubChem CID13492930
Molecular FormulaC13H25NO
Molecular Weight211.35 g/mol
Exact Mass211.19
IUPAC Name2-[[(2E)-3,7-dimethylocta-2,6-dienyl]amino]propan-1-ol
SMILESCC(C)=CCC/C(C)=C/CNC(C)CO
InChIInChI=1S/C13H25NO/c1-11(2)6-5-7-12(3)8-9-14-13(4)10-15/h6,8,13-15H,5,7,9-10H2,1-4H3/b12-8+
InChIKeyPNZVTNFSSDGUNM-XYOKQWHBSA-N
XLogP2.65
TPSA32.26 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500211.35
LogP ≤ 52.65
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 2-[[(2E)-3,7-dimethylocta-2,6-dienyl]amino]propan-1-ol?
The IUPAC name of 2-[[(2E)-3,7-dimethylocta-2,6-dienyl]amino]propan-1-ol (CID 13492930) is 2-[[(2E)-3,7-dimethylocta-2,6-dienyl]amino]propan-1-ol.
What is the SMILES notation for 2-[[(2E)-3,7-dimethylocta-2,6-dienyl]amino]propan-1-ol?
The canonical SMILES for 2-[[(2E)-3,7-dimethylocta-2,6-dienyl]amino]propan-1-ol is CC(C)=CCC/C(C)=C/CNC(C)CO.
What is the InChIKey of 2-[[(2E)-3,7-dimethylocta-2,6-dienyl]amino]propan-1-ol?
The InChIKey is PNZVTNFSSDGUNM-XYOKQWHBSA-N. The full InChI is InChI=1S/C13H25NO/c1-11(2)6-5-7-12(3)8-9-14-13(4)10-15/h6,8,13-15H,5,7,9-10H2,1-4H3/b12-8+.
What are the key properties of 2-[[(2E)-3,7-dimethylocta-2,6-dienyl]amino]propan-1-ol?
2-[[(2E)-3,7-dimethylocta-2,6-dienyl]amino]propan-1-ol has a molecular weight of 211.35 g/mol, XLogP of 2.65, 7 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[(2E)-3,7-dimethylocta-2,6-dienyl]amino]propan-1-ol is sourced from PubChem (CID 13492930), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).