ethane;(3E,5E)-5-methoxy-N,3-dimethylocta-3,5,7-trien-2-amine;propan-1-amine

C16H34N2O — CID 143267183

IUPACethane;(3E,5E)-5-methoxy-N,3-dimethylocta-3,5,7-trien-2-amine;propan-1-amine
SMILESC=C/C=C(\C=C(/C)C(C)NC)OC.CC.CCCN
InChIInChI=1S/C11H19NO.C3H9N.C2H6/c1-6-7-11(13-5)8-9(2)10(3)12-4;1-2-3-4;1-2/h6-8,10,12H,1H2,2-5H3;2-4H2,1H3;1-2H3/b9-8+,11-7+;;
InChIKeyWCUYLLQSNWRYSL-LGTGYRRZSA-N
MW270.46 g/mol
LogP3.64
Rot. Bonds6

About ethane;(3E,5E)-5-methoxy-N,3-dimethylocta-3,5,7-trien-2-amine;propan-1-amine

ethane;(3E,5E)-5-methoxy-N,3-dimethylocta-3,5,7-trien-2-amine;propan-1-amine (PubChem CID 143267183) has the molecular formula C16H34N2O and a molecular weight of 270.46 g/mol. Its IUPAC name is ethane;(3E,5E)-5-methoxy-N,3-dimethylocta-3,5,7-trien-2-amine;propan-1-amine.

Molecular Properties

Compound Nameethane;(3E,5E)-5-methoxy-N,3-dimethylocta-3,5,7-trien-2-amine;propan-1-amine
PubChem CID143267183
Molecular FormulaC16H34N2O
Molecular Weight270.46 g/mol
Exact Mass270.27
IUPAC Nameethane;(3E,5E)-5-methoxy-N,3-dimethylocta-3,5,7-trien-2-amine;propan-1-amine
SMILESC=C/C=C(\C=C(/C)C(C)NC)OC.CC.CCCN
InChIInChI=1S/C11H19NO.C3H9N.C2H6/c1-6-7-11(13-5)8-9(2)10(3)12-4;1-2-3-4;1-2/h6-8,10,12H,1H2,2-5H3;2-4H2,1H3;1-2H3/b9-8+,11-7+;;
InChIKeyWCUYLLQSNWRYSL-LGTGYRRZSA-N
XLogP3.64
TPSA47.28 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500270.46
LogP ≤ 53.64
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 ethane;(3E,5E)-5-methoxy-N,3-dimethylocta-3,5,7-trien-2-amine;propan-1-amine?
The IUPAC name of ethane;(3E,5E)-5-methoxy-N,3-dimethylocta-3,5,7-trien-2-amine;propan-1-amine (CID 143267183) is ethane;(3E,5E)-5-methoxy-N,3-dimethylocta-3,5,7-trien-2-amine;propan-1-amine.
What is the SMILES notation for ethane;(3E,5E)-5-methoxy-N,3-dimethylocta-3,5,7-trien-2-amine;propan-1-amine?
The canonical SMILES for ethane;(3E,5E)-5-methoxy-N,3-dimethylocta-3,5,7-trien-2-amine;propan-1-amine is C=C/C=C(\C=C(/C)C(C)NC)OC.CC.CCCN.
What is the InChIKey of ethane;(3E,5E)-5-methoxy-N,3-dimethylocta-3,5,7-trien-2-amine;propan-1-amine?
The InChIKey is WCUYLLQSNWRYSL-LGTGYRRZSA-N. The full InChI is InChI=1S/C11H19NO.C3H9N.C2H6/c1-6-7-11(13-5)8-9(2)10(3)12-4;1-2-3-4;1-2/h6-8,10,12H,1H2,2-5H3;2-4H2,1H3;1-2H3/b9-8+,11-7+;;.
What are the key properties of ethane;(3E,5E)-5-methoxy-N,3-dimethylocta-3,5,7-trien-2-amine;propan-1-amine?
ethane;(3E,5E)-5-methoxy-N,3-dimethylocta-3,5,7-trien-2-amine;propan-1-amine has a molecular weight of 270.46 g/mol, XLogP of 3.64, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for ethane;(3E,5E)-5-methoxy-N,3-dimethylocta-3,5,7-trien-2-amine;propan-1-amine is sourced from PubChem (CID 143267183), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).